Mercurial > repos > workflow4metabolomics > ms2snoop
changeset 5:78d5a12406c2 draft
planemo upload commit a5f94dac9b268629399dc22c5d6ac48c5a85adc3
| author | workflow4metabolomics |
|---|---|
| date | Fri, 05 Aug 2022 17:25:45 +0000 |
| parents | 856001213966 |
| children | 77abacd33c31 |
| files | MS2snoop.R MS2snoop.xml README.md environment.yml macros.xml planemo_retest.sh test-data/compound_fragments_result.txt test-data/smol/out-smol-base.tsv test-data/smol/out-smol-delta-0.05mz.tsv test-data/smol/out-smol-delta-8.542.tsv test-data/smol/smol_compounds_pos.csv test-data/smol/smol_fragments.tsv test-data/smol/smol_precursors.tsv |
| diffstat | 13 files changed, 4482 insertions(+), 1897 deletions(-) [+] |
line wrap: on
line diff
--- a/MS2snoop.R Wed Jul 06 10:38:39 2022 +0000 +++ b/MS2snoop.R Fri Aug 05 17:25:45 2022 +0000 @@ -15,57 +15,282 @@ #' -assign("MS2SNOOP_VERSION", "2.0.0") -lockBinding("MS2SNOOP_VERSION", globalenv()) - -assign("MISSING_PARAMETER_ERROR", 1) -lockBinding("MISSING_PARAMETER_ERROR", globalenv()) - -assign("BAD_PARAMETER_VALUE_ERROR", 2) -lockBinding("BAD_PARAMETER_VALUE_ERROR", globalenv()) - -assign("MISSING_INPUT_FILE_ERROR", 3) -lockBinding("MISSING_INPUT_FILE_ERROR", globalenv()) - -assign("NO_ANY_RESULT_ERROR", 255) -lockBinding("NO_ANY_RESULT_ERROR", globalenv()) +get_version <- function() { + cmd <- commandArgs(trailingOnly = FALSE) + root <- dirname(gsub("--file=", "", cmd[grep("--file=", cmd)])) + readme <- readLines(file.path(root, "README.md")) + version_line <- readme[grepl(" * **@version**: ", readme, fixed = TRUE)] + return(gsub(".*: ", "", version_line)) +} -assign("DEFAULT_PRECURSOR_PATH", "peaklist_precursors.tsv") -assign("DEFAULT_FRAGMENTS_PATH", "peaklist_fragments.tsv") -assign("DEFAULT_COMPOUNDS_PATH", "compounds_pos.txt") -assign("DEFAULT_OUTPUT_PATH", "compound_fragments_result.txt") -assign("DEFAULT_TOLMZ", 0.01) -assign("DEFAULT_TOLRT", 20) -assign("DEFAULT_MZDECIMAL", 0) -assign("DEFAULT_R_THRESHOLD", 0.85) -assign("DEFAULT_MINNUMBERSCAN", 8) -assign("DEFAULT_SEUIL_RA", 0.5) -lockBinding("DEFAULT_PRECURSOR_PATH", globalenv()) -lockBinding("DEFAULT_FRAGMENTS_PATH", globalenv()) -lockBinding("DEFAULT_COMPOUNDS_PATH", globalenv()) -lockBinding("DEFAULT_OUTPUT_PATH", globalenv()) -lockBinding("DEFAULT_TOLMZ", globalenv()) -lockBinding("DEFAULT_TOLRT", globalenv()) -lockBinding("DEFAULT_MZDECIMAL", globalenv()) -lockBinding("DEFAULT_R_THRESHOLD", globalenv()) -lockBinding("DEFAULT_MINNUMBERSCAN", globalenv()) -lockBinding("DEFAULT_SEUIL_RA", globalenv()) - -assign("DEFAULT_EXTRACT_FRAGMENTS_R_THRESHOLD", 0.85) -assign("DEFAULT_EXTRACT_FRAGMENTS_SEUIL_RA", 0.1) -assign("DEFAULT_EXTRACT_FRAGMENTS_TOLMZ", 0.01) -assign("DEFAULT_EXTRACT_FRAGMENTS_TOLRT", 60) -lockBinding("DEFAULT_EXTRACT_FRAGMENTS_R_THRESHOLD", globalenv()) -lockBinding("DEFAULT_EXTRACT_FRAGMENTS_SEUIL_RA", globalenv()) -lockBinding("DEFAULT_EXTRACT_FRAGMENTS_TOLMZ", globalenv()) -lockBinding("DEFAULT_EXTRACT_FRAGMENTS_TOLRT", globalenv()) - +defaults <- list( + MS2SNOOP_VERSION = get_version(), + MISSING_PARAMETER_ERROR = 1, + BAD_PARAMETER_VALUE_ERROR = 2, + MISSING_INPUT_FILE_ERROR = 3, + NO_ANY_RESULT_ERROR = 255, + DEFAULT_PRECURSOR_PATH = NULL, + DEFAULT_FRAGMENTS_PATH = NULL, + DEFAULT_COMPOUNDS_PATH = NULL, + DEFAULT_OUTPUT_PATH = "compound_fragments_result.txt", + DEFAULT_TOLMZ = 0.01, + DEFAULT_TOLRT = 20, + DEFAULT_MZDECIMAL = 3, + DEFAULT_R_THRESHOLD = 0.85, + DEFAULT_MINNUMBERSCAN = 8, + DEFAULT_SEUIL_RA = 0.05, + DEFAULT_FRAGMENTS_MATCH_DELTA = 10, + DEFAULT_FRAGMENTS_MATCH_DELTA_UNIT = "ppm", + DEFAULT_PDF_PATH = "" +) +env <- globalenv() +for (default in names(defaults)) { + assign(default, defaults[[default]], envir = env) + lockBinding(default, env) +} ######################################################################## +get_formulas <- function( + mzref, + spectra, + nominal_mz_list, + processing_parameters, + background = !TRUE +) { + if (is.vector(mzref) && length(mzref) > 1) { + return(lapply( + mzref, + function(mz) { + return(get_formulas( + mzref = mz, + spectra = spectra, + nominal_mz_list = nominal_mz_list, + processing_parameters = processing_parameters, + background = background + )) + } + )) + } + input <- sprintf( + "%s-%s.ms", + gsub("[[:space:]]", "_", processing_parameters$c_name), + mzref + ) + create_ms_file(input, mzref, spectra, processing_parameters) + output <- sprintf( + "out/%s-%s.out", + gsub("[[:space:]]", "_", processing_parameters$c_name), + mzref + ) + command <- sprintf( + paste( + "sirius", + "--noCite", + "--noSummaries", + "--loglevel=WARNING", + "-i='%s'", + "-o='%s'", + "tree", + ## loglevel is not working taken into account during + ## sirius startup, so we filter outputs... + "2>&1 | grep '^(WARNING|SEVERE)'" + ), + input, + output + ) + verbose_catf( + ">> Sirius is running %swith the command: %s\n", + if (background) "in the background " else "", + command + ) + system( + command, + wait = !background, + ignore.stdout = background, + ignore.stderr = background + ) + return(extract_sirius_results(output, spectra$mz, processing_parameters)) +} + +create_ms_file <- function( + path, + mzref, + spectra, + processing_parameters +) { + file_content <- paste( + sprintf(">compound %s", processing_parameters$c_name), + sprintf(">ionization %s", processing_parameters$ionization), + sprintf(">parentmass %s", mzref), + sprintf(">formula %s", processing_parameters$elemcomposition), + sep = "\n" + ) + displayed_file_content <- sprintf( + "%s\n>collision\n%s", + file_content, + paste( + sprintf( + "%s %s", + spectra[1:3, "mz"], + spectra[1:3, "intensities"] + ), + collapse = "\n" + ) + ) + if (nrow(spectra) > 3) { + displayed_file_content <- sprintf( + "%s\n[... %s more rows of mz and intensities ...]", + displayed_file_content, + nrow(spectra) - 3 + ) + } + catf( + ">> MS file created for %s with content:\n%s\n", + processing_parameters$c_name, + displayed_file_content + ) + file_content <- sprintf( + "%s\n\n>collision\n%s", + file_content, + paste( + sprintf("%s %s", spectra$mz, spectra$intensities), + collapse = "\n" + ) + ) + cat(file_content, file = path, append = FALSE) +} + +extract_sirius_results <- function( + output, + mz_list, + processing_parameters +) { + + delta <- processing_parameters$fragment_match_delta + delta_unit <- tolower(processing_parameters$fragment_match_delta_unit) + + output <- list.dirs(output, recursive = FALSE)[[1]] + + spectra_out_dir <- sprintf("%s/spectra", output) + spectra_filename <- sprintf( + "%s/%s", + spectra_out_dir, + list.files(spectra_out_dir)[[1]] + ) + + trees_out_dir <- sprintf("%s/trees", output) + trees_filename <- sprintf( + "%s/%s", + trees_out_dir, + list.files(trees_out_dir)[[1]] + ) + + if (!is.null(spectra_filename)) { + sirius_results <- get_csv_or_tsv(spectra_filename) + } else { + return(rep(NA, length(mz_list))) + } + if (!is.null(trees_filename)) { + sirius_results <- cbind(sirius_results, extract_sirius_ppm(trees_filename)) + } else { + return(rep(NA, length(mz_list))) + } + + fragment_matchings <- data.frame( + formula = NA, + ppm = NA, + mz = mz_list, + error = NA + ) + + sirius_results <- filter_sirius_with_delta( + sirius_results = sirius_results, + original_mz = fragment_matchings$mz, + delta = delta, + delta_unit = delta_unit + ) + + for (index in seq_len(nrow(sirius_results))) { + result <- sirius_results[index, ] + filter <- which(order(abs(fragment_matchings$mz - result$mz)) == 1) + fragment_matchings[filter, "formula"] <- result$formula + fragment_matchings[filter, "ppm"] <- result$ppm + catf( + "[OK] Fragment with m/z=%s matches %s with a difference of %s ppm\n", + fragment_matchings[filter, "mz"], result$formula, result$ppm + ) + } + return(fragment_matchings) +} + +filter_sirius_with_delta <- function( + sirius_results, + original_mz, + delta, + delta_unit +) { + if (is.numeric(delta) && !is.na(delta) && delta > 0) { + if (delta_unit == "ppm") { + filter <- abs(sirius_results$ppm) <= delta + fine <- which(filter) + not_fine <- which(!filter) + catf( + paste("[KO] fragment %s (m/z=%s) eleminated because ppm=%s is greater", + "than delta=%s\n" + ), + sirius_results[not_fine, ]$formula, + sirius_results[not_fine, ]$mz, + sirius_results[not_fine, ]$ppm, + delta + ) + sirius_results <- sirius_results[fine, ] + } else if (delta_unit == "mz") { + differences <- sapply( + sirius_results$mz, + function(mz) min(abs(original_mz - mz)) + ) + fine <- which(sapply( + sirius_results$mz, + function(mz) any(abs(original_mz - mz) <= delta) + )) + not_fine <- which(sapply( + sirius_results$mz, + function(mz) all(abs(original_mz - mz) > delta) + )) + catf( + paste( + "[KO] fragment %s eleminated because mz difference=%s is", + "greater than delta=%s\n" + ), + sirius_results[not_fine, ]$formula, + differences[not_fine], + delta + ) + sirius_results <- sirius_results[fine, ] + } + } + return(sirius_results) +} + +extract_sirius_ppm <- function(path) { + json <- file(path, "r") + suppressWarnings(json_lines <- readLines(json)) + close(json) + json_lines <- json_lines[ + grepl("\\s+\"(massDeviation|recalibratedMass)\" :", json_lines) + ] + json_lines <- gsub("^\\s+\"[^\"]+\" : \"?", "", json_lines) + ppms <- json_lines[seq(1, length(json_lines), 2)] + mz <- json_lines[seq(2, length(json_lines), 2)] + ppms <- as.numeric(gsub(" ppm .*", "", ppms)) + mz <- as.numeric(gsub(",$", "", mz)) + ordered <- order(mz) + return(list(ppm = ppms[ordered], recalibrated_mz = mz[ordered])) +} + #' @title plot_pseudo_spectra #' @param x -#' @param r_threshold #' @param fid #' @param sum_int #' @param vmz @@ -81,15 +306,13 @@ #' fid file id when several a precursor has been detected in several files plot_pseudo_spectra <- function( x, - r_threshold, fid, sum_int, vmz, cor_abs_int, refcol, - c_name, - inchikey, - elemcomposition + meaned_mz, + processing_parameters ) { ## du fait de la difference de nombre de colonne entre la dataframe qui ## inclue les scans en 1ere col, mzRef se decale de 1 @@ -98,89 +321,146 @@ rel_int <- sum_int[-1] rel_int <- rel_int / max(rel_int) - ## define max value on vertical axis (need to increase in order to plot the - ## label of fragments) - ymax <- max(rel_int) + 0.2 * max(rel_int) + if (processing_parameters$do_pdf) { + ## define max value on vertical axis (need to increase in order to plot the + ## label of fragments) + ymax <- max(rel_int) + 0.2 * max(rel_int) - par(mfrow = c(2, 1)) - plot(vmz, rel_int, type = "h", ylim = c(0, ymax), main = c_name) - ## low correl coef. will be display in grey - cor_low <- which(round(cor_abs_int, 2) < r_threshold) + par(mfrow = c(2, 1)) + plot(vmz, rel_int, type = "h", ylim = c(0, ymax), + main = processing_parameters$c_name + ) + ## low correl coef. will be display in grey + cor_low <- which(round(cor_abs_int, 2) < processing_parameters$r_threshold) + + lbmzcor <- sprintf("%s(r=%s)", vmz, round(cor_abs_int, 2)) - lbmzcor <- sprintf("%s(r=%s)", vmz, round(cor_abs_int, 2)) + if (length(cor_low) > 0) { + text( + vmz[cor_low], + rel_int[cor_low], + lbmzcor[cor_low], + cex = 0.5, + col = "grey", + srt = 90, + adj = 0 + ) + if (length(vmz) - length(cor_low) > 1) { + text( + vmz[-c(refcol, cor_low)], + rel_int[-c(refcol, cor_low)], + lbmzcor[-c(refcol, cor_low)], + cex = 0.6, + col = 1, + srt = 90, + adj = 0 + ) + } + } else { + if (length(vmz) > 1) { + text( + vmz[-c(refcol)], + rel_int[-c(refcol)], + lbmzcor[-c(refcol)], + cex = 0.6, + col = 1, + srt = 90, + adj = 0 + ) + } + } - if (length(cor_low) > 0) { text( - vmz[cor_low], - rel_int[cor_low], - lbmzcor[cor_low], - cex = 0.5, - col = "grey", + vmz[refcol], + rel_int[refcol], + lbmzcor[refcol], + cex = 0.8, + col = 2, srt = 90, adj = 0 ) - if (length(vmz) - length(cor_low) > 1) { - text( - vmz[-c(refcol, cor_low)], - rel_int[-c(refcol, cor_low)], - lbmzcor[-c(refcol, cor_low)], - cex = 0.6, - col = 1, - srt = 90, - adj = 0 + } + + ## prepare result file + cor_valid <- (round(cor_abs_int, 2) >= processing_parameters$r_threshold) + + do_sirius <- TRUE + verbose_catf("Checking sirius parameters...\n") + if (is.null(processing_parameters$ionization)) { + do_sirius <- FALSE + verbose_catf("[KO] No ionization passed in parameter.\n") + } else { + verbose_catf("[OK] Ionization=%s.\n", processing_parameters$ionization) + } + if (is.na(processing_parameters$elemcomposition)) { + do_sirius <- FALSE + verbose_catf("[KO] Elemental composition is NA.\n") + } else if (length(processing_parameters$elemcomposition) < 1) { + do_sirius <- FALSE + verbose_catf("[KO] No elemental composition is provided.\n") + } else if (processing_parameters$elemcomposition == "") { + do_sirius <- FALSE + verbose_catf("[KO] Elemental composition is an empty string.\n") + } else { + verbose_catf( + "[OK] Elemental composition=%s.\n", + processing_parameters$elemcomposition + ) + } + + cp_res_length <- length(vmz) + ppm <- rep(NA, cp_res_length) + formulas <- rep(NA, cp_res_length) + if (do_sirius) { + verbose_catf("Everything is ok, preparing for sirius.\n") + formulas <- get_formulas( + mzref = processing_parameters$mzref, + spectra = data.frame(mz = meaned_mz, intensities = sum_int[-1]), + nominal_mz_list = vmz, + processing_parameters = processing_parameters + ) + if (nrow(formulas) == 0) { + catf("No formula found.\n") + } else { + ppm <- formulas$ppm + formulas <- formulas$formula + catf( + "Found %s formula for %s fragments\n", + length(formulas[which(!(is.na(formulas)))]), + cp_res_length ) } } else { - if (length(vmz) > 1) { - text( - vmz[-c(refcol)], - rel_int[-c(refcol)], - lbmzcor[-c(refcol)], - cex = 0.6, - col = 1, - srt = 90, - adj = 0 - ) - } + verbose_catf("Sirius cannot be run.\n") } - - text( - vmz[refcol], - rel_int[refcol], - lbmzcor[refcol], - cex = 0.8, - col = 2, - srt = 90, - adj = 0 - ) - - ## prepare result file - corValid <- (round(cor_abs_int, 2) >= r_threshold) ##nolint object_name_linter cp_res <- data.frame( - rep(c_name, length(vmz)), - rep(inchikey, length(vmz)), - rep(elemcomposition, length(vmz)), - rep(fid, length(vmz)), + rep(processing_parameters$c_name, cp_res_length), + rep(processing_parameters$inchikey, cp_res_length), + rep(processing_parameters$elemcomposition, cp_res_length), + formulas, vmz, + ppm, + rep(fid, cp_res_length), cor_abs_int, sum_int[-1], rel_int, - corValid + cor_valid ) colnames(cp_res) <- c( "compoundName", "inchikey", "elemcomposition", + "fragment", + "fragment_mz", + "ppm", "fileid", - "fragments_mz", "CorWithPrecursor", "AbsoluteIntensity", "relativeIntensity", "corValid" ) return(cp_res) - } #' @@ -188,13 +468,12 @@ #' #' @param precursors the precursor list from mspurity #' @param fragments the fragments list from ms purity -#' @param mzref -#' @param rtref -#' @param c_name -#' @param r_threshold default = DEFAULT_EXTRACT_FRAGMENTS_R_THRESHOLD -#' @param seuil_ra default = DEFAULT_EXTRACT_FRAGMENTS_SEUIL_RA -#' @param tolmz default = DEFAULT_EXTRACT_FRAGMENTS_TOLMZ -#' @param tolrt default = DEFAULT_EXTRACT_FRAGMENTS_TOLRT +# ' @param mzref +# ' @param rtref +# ' @param c_name +# ' @param inchikey +# ' @param elemcomposition +#' @param processing_parameters #' @returns #' #' @description @@ -203,193 +482,266 @@ extract_fragments <- function( ## nolint cyclocomp_linter precursors, fragments, - mzref, - rtref, - c_name, - inchikey, - elemcomposition, - min_number_scan, - mzdecimal, - r_threshold = DEFAULT_EXTRACT_FRAGMENTS_R_THRESHOLD, - seuil_ra = DEFAULT_EXTRACT_FRAGMENTS_SEUIL_RA, - tolmz = DEFAULT_EXTRACT_FRAGMENTS_TOLMZ, - tolrt = DEFAULT_EXTRACT_FRAGMENTS_TOLRT + processing_parameters ) { ## filter precursor in the precursors file based on mz and rt in the ## compound list - cat("processing ", c_name, "\n") + catf("processing %s\n", processing_parameters$c_name) + verbose_catf("===\n") + param <- processing_parameters selected_precursors <- which( - (abs(precursors$precurMtchMZ - mzref) <= tolmz) - & (abs(precursors$precurMtchRT - rtref) <= tolrt) + (abs(precursors$precurMtchMZ - param$mzref) <= param$tolmz) + & (abs(precursors$precurMtchRT - param$rtref) <= param$tolrt) + ) + rm(param) + + verbose_catf( + "> %s precursors selected with mz=%s±%s and rt=%s±%s\n", + length(selected_precursors), + processing_parameters$mzref, + processing_parameters$tolmz, + processing_parameters$rtref, + processing_parameters$tolrt ) ## check if there is the precursor in the file - if (length(selected_precursors) > 0) { - - sprecini <- precursors[selected_precursors, ] - - ## check if fragments corresponding to precursor are found in several - ## files (collision energy) - ## this lead to a processing for each fileid - mf <- levels(as.factor(sprecini$fileid)) - if (length(mf) > 1 && global_verbose) { - cat(" several files detected for this compounds :\n") - } - - for (f in seq_along(mf)) { - - sprec <- sprecini[sprecini$fileid == mf[f], ] - - ## selection of fragment in the fragments file with the grpid common in - ## both fragments and precursors - selfrgt <- levels(as.factor(sprec$grpid)) - sfrgt <- fragments[ - fragments$grpid %in% selfrgt - & fragments$fileid == mf[f], - ] - - ## filter fragments on relative intensity seuil_ra = user defined - ## parameter (MSpurity flags could be used here) - sfrgtfil <- sfrgt[sfrgt$ra > seuil_ra, ] - mznominal <- round(x = sfrgtfil$mz, mzdecimal) - sfrgtfil <- data.frame(sfrgtfil, mznominal) - - ## creation of cross table row=scan col=mz X=ra - vmz <- levels(as.factor(sfrgtfil$mznominal)) - - if (global_verbose) { - cat(" fragments :", vmz) - cat("\n") - } - - ## mz of precursor in data precursor to check correlation with - mz_prec <- paste0("mz", round(mean(sprec$mz), mzdecimal)) + if (length(selected_precursors) < 1) { + cat("> non detected in precursor file\n") + show_end_processing() + return(NULL) + } - for (m in seq_along(vmz)) { - - ## absolute intensity - cln <- c( - which(colnames(sfrgtfil) == "acquisitionNum"), - which(colnames(sfrgtfil) == "i") - ) - int_mz <- sfrgtfil[sfrgtfil$mznominal == vmz[m], cln] - colnames(int_mz)[2] <- paste0("mz", vmz[m]) - - ## average intensities of mass in duplicate scans - comp_scans <- aggregate(x = int_mz, by = list(int_mz[[1]]), FUN = mean) - int_mz <- comp_scans[, -1] + precursors <- precursors[selected_precursors, ] - if (m == 1) { - ds_abs_int <- int_mz - } else { - ds_abs_int <- merge( - x = ds_abs_int, - y = int_mz, - by.x = 1, - by.y = 1, - all.x = TRUE, - all.y = TRUE - ) - } - } - if (global_debug) { - print(ds_abs_int) - write.table( - x = ds_abs_int, - file = paste0(c_name, "ds_abs_int.txt"), - row.names = FALSE, - sep = "\t" - ) - } - - ## elimination of mz with less than min_number_scan scans (user defined - ## parameter) - xmz <- rep(NA, ncol(ds_abs_int) - 1) - sum_int <- rep(NA, ncol(ds_abs_int)) - nbxmz <- 0 - nb_scan_check <- min(nrow(ds_abs_int), min_number_scan) - - for (j in 2:ncol(ds_abs_int)) { - sum_int[j] <- sum(ds_abs_int[j], na.rm = TRUE) - if (sum(!is.na(ds_abs_int[[j]])) < nb_scan_check) { - nbxmz <- nbxmz + 1 - xmz[nbxmz] <- j - } - } - - xmz <- xmz[-which(is.na(xmz))] - if (length(xmz) > 0) { - ds_abs_int <- ds_abs_int[, -c(xmz)] - sum_int <- sum_int[-c(xmz)] - ## liste des mz keeped decale de 1 avec ds_abs_int - vmz <- as.numeric(vmz[-c(xmz - 1)]) - } + ## check if fragments corresponding to precursor are found in several + ## files (collision energy) + ## this lead to a processing for each fileid + file_ids <- as.character(sort(unique(precursors$fileid))) + if (length(file_ids) > 1) { + catf("> several files detected for this compounds :\n") + } else if (length(file_ids) < 1 || nrow(precursors) < 1) { + return(data.frame()) + } - ## reference ion for correlation computing = precursor OR maximum - ## intensity ion in precursor is not present - refcol <- which(colnames(ds_abs_int) == mz_prec) - if (length(refcol) == 0) { - refcol <- which(sum_int == max(sum_int, na.rm = TRUE)) - } - pdf( - file = sprintf("%s_processing_file%s.pdf", c_name, mf[f]), - width = 8, - height = 11 + res_comp <- data.frame() + for (curent_file_id in file_ids) { + curent_precursors <- precursors[precursors$fileid == curent_file_id, ] + selected_fragments <- fragments[ + fragments$grpid %in% as.character(curent_precursors$grpid) + & fragments$fileid == curent_file_id, + ] + filtered_fragments <- selected_fragments[ + selected_fragments$ra > processing_parameters$seuil_ra, + ] + if (nrow(filtered_fragments) != 0) { + res_comp_by_file <- process_file( + curent_file_id = curent_file_id, + precursor_mz = curent_precursors$mz, + filtered_fragments = filtered_fragments, + processing_parameters = processing_parameters ) - par(mfrow = c(3, 2)) - - ## Pearson correlations between absolute intensities computing - cor_abs_int <- rep(NA, length(vmz)) - - if (length(refcol) > 0) { - for (i in 2:length(ds_abs_int)) { - cor_abs_int[i - 1] <- cor( - x = ds_abs_int[[refcol]], - y = ds_abs_int[[i]], - use = "pairwise.complete.obs", - method = "pearson" - ) - plot( - ds_abs_int[[refcol]], - ds_abs_int[[i]], - xlab = colnames(ds_abs_int)[refcol], - ylab = colnames(ds_abs_int)[i], - main = sprintf( - "%s corr coeff r=%s", c_name, round(cor_abs_int[i - 1], 2) - ) - ) - } - ## plot pseudo spectra - res_comp_by_file <- plot_pseudo_spectra( - x = ds_abs_int, - r_threshold = r_threshold, - fid = mf[f], - sum_int = sum_int, - vmz = vmz, - cor_abs_int = cor_abs_int, - refcol = refcol, - c_name = c_name, - inchikey = inchikey, - elemcomposition = elemcomposition - ) - if (f == 1) { - res_comp <- res_comp_by_file - } - } else { - res_comp_by_file <- NULL - cat(" non detected in fragments file \n") - } if (!is.null(res_comp_by_file)) { res_comp <- rbind(res_comp, res_comp_by_file) } - dev.off() + } else { + catf("No fragment found for in fragment file\n") + } + } + return(unique(res_comp)) +} + +process_file <- function( + curent_file_id, + precursor_mz, + filtered_fragments, + processing_parameters +) { + mznominal <- round(x = filtered_fragments$mz, digits = 0) + meaned_mz <- round( + aggregate( + data.frame( + mz = filtered_fragments$mz, + mznominal = mznominal + ), + list(mznominal), + FUN = mean + )$mz, + digits = processing_parameters$mzdecimal + ) + filtered_fragments <- data.frame(filtered_fragments, mznominal) + + ## creation of cross table row=scan col=mz X=ra + + vmz <- as.character(sort(unique(filtered_fragments$mznominal))) + + ds_abs_int <- create_ds_abs_int(vmz, filtered_fragments) + + if (global_debug) { + print(ds_abs_int) + } + + ## elimination of mz with less than min_number_scan scans (user defined + ## parameter) + xmz <- rep(NA, ncol(ds_abs_int) - 1) + sum_int <- rep(NA, ncol(ds_abs_int)) + nbxmz <- 0 + nb_scan_check <- min(nrow(ds_abs_int), processing_parameters$min_number_scan) + + for (j in 2:ncol(ds_abs_int)) { + sum_int[j] <- sum(ds_abs_int[j], na.rm = TRUE) + if (sum(!is.na(ds_abs_int[[j]])) < nb_scan_check) { + nbxmz <- nbxmz + 1 + xmz[nbxmz] <- j } + } + + xmz <- xmz[-which(is.na(xmz))] + if (length(xmz) > 0) { + ds_abs_int <- ds_abs_int[, -c(xmz)] + sum_int <- sum_int[-c(xmz)] + ## liste des mz keeped decale de 1 avec ds_abs_int + vmz <- as.numeric(vmz[-c(xmz - 1)]) + meaned_mz <- meaned_mz[-c(xmz - 1)] + } + + ## mz of precursor in data precursor to check correlation with + mz_prec <- paste0( + "mz", + round(mean(precursor_mz), processing_parameters$mzdecimal) + ) + ## reference ion for correlation computing = precursor OR maximum + ## intensity ion in precursor is not present + refcol <- which(colnames(ds_abs_int) == mz_prec) + if (length(refcol) == 0) { + refcol <- which(sum_int == max(sum_int, na.rm = TRUE)) + } + + if (processing_parameters$do_pdf) { + start_pdf(processing_parameters, curent_file_id) + } + + ## Pearson correlations between absolute intensities computing + cor_abs_int <- rep(NA, length(vmz)) + + if (length(refcol) > 0) { + for (i in 2:length(ds_abs_int)) { + cor_abs_int[i - 1] <- stats::cor( + x = ds_abs_int[[refcol]], + y = ds_abs_int[[i]], + use = "pairwise.complete.obs", + method = "pearson" + ) + debug_catf( + "Correlation between %s and %s: %s\n", + paste(ds_abs_int[[refcol]], collapse = ";"), + paste(ds_abs_int[[i]], collapse = ";"), + paste(cor_abs_int[i - 1], collapse = ";") + ) + if (processing_parameters$do_pdf) { + pdf_plot_ds_abs_int( + processing_parameters$c_name, + ds_abs_int, + refcol, + i, + round(cor_abs_int[i - 1], 2) + ) + } + } + ## plot pseudo spectra + res_comp_by_file <- plot_pseudo_spectra( + x = ds_abs_int, + fid = curent_file_id, + sum_int = sum_int, + vmz = vmz, + cor_abs_int = cor_abs_int, + refcol = refcol, + meaned_mz = meaned_mz, + processing_parameters = processing_parameters + ) + catf( + "%s has been processed and %s fragments have been found.\n", + processing_parameters$c_name, + nrow(res_comp_by_file) + ) } else { - res_comp <- NULL - cat(" non detected in precursor file \n") + res_comp_by_file <- NULL + cat(">> non detected in fragments file \n") + } + show_end_processing() + if (processing_parameters$do_pdf) { + end_pdf() + } + return(res_comp_by_file) +} + +create_ds_abs_int <- function(vmz, filtered_fragments) { + verbose_catf( + ">> fragments: %s\n", + paste(vmz, collapse = " ") + ) + ds_abs_int <- create_int_mz(vmz[1], filtered_fragments) + for (mz in vmz[-1]) { + int_mz <- create_int_mz(mz, filtered_fragments) + ds_abs_int <- merge( + x = ds_abs_int, + y = int_mz, + by.x = 1, + by.y = 1, + all.x = TRUE, + all.y = TRUE + ) } - return(res_comp) + return(ds_abs_int) +} + +create_int_mz <- function(mz, filtered_fragments) { + ## absolute intensity + int_mz <- filtered_fragments[ + filtered_fragments$mznominal == mz, + c("acquisitionNum", "i") + ] + colnames(int_mz)[2] <- paste0("mz", mz) + ## average intensities of mass in duplicate scans + comp_scans <- aggregate(x = int_mz, by = list(int_mz[[1]]), FUN = mean) + return(comp_scans[, -1]) +} + +show_end_processing <- function() { + verbose_catf("==========\n") + cat("\n") +} + +start_pdf <- function(processing_parameters, curent_file_id) { + if (!dir.exists(processing_parameters$pdf_path)) { + dir.create(processing_parameters$pdf_path, recursive = TRUE) + } + pdf( + file = sprintf( + "%s/%s_processing_file%s.pdf", + processing_parameters$pdf_path, + processing_parameters$c_name, + curent_file_id + ), + width = 8, + height = 11 + ) + par(mfrow = c(3, 2)) +} + +pdf_plot_ds_abs_int <- function(c_name, ds_abs_int, refcol, i, r_coef) { + plot( + ds_abs_int[[refcol]], + ds_abs_int[[i]], + xlab = colnames(ds_abs_int)[refcol], + ylab = colnames(ds_abs_int)[i], + main = sprintf( + "%s corr coeff r=%s", c_name, r_coef + ) + ) +} +end_pdf <- function() { + dev.off() } set_global <- function(var, value) { @@ -412,6 +764,23 @@ set_global("global_verbose", FALSE) } +verbose_catf <- function(...) { + if (global_verbose) { + cat(sprintf(...), sep = "") + } +} + + +debug_catf <- function(...) { + if (global_debug) { + cat(sprintf(...), sep = "") + } +} + +catf <- function(...) { + cat(sprintf(...), sep = "") +} + create_parser <- function() { parser <- optparse::OptionParser() parser <- optparse::add_option( @@ -547,6 +916,52 @@ ), metavar = "number" ) + parser <- optparse::add_option( + parser, + c("--pdf_path"), + type = "character", + default = DEFAULT_PDF_PATH, + help = paste( + "[default %default]", + "PDF files output path" + ) + ) + parser <- optparse::add_option( + parser, + c("--ionization"), + type = "character", + action = "store", + default = "None", + help = paste( + "[default %default]", + "Which ionization to use for sirius" + ), + metavar = "character" + ) + parser <- optparse::add_option( + parser, + c("--fragment_match_delta"), + type = "numeric", + action = "store", + default = DEFAULT_FRAGMENTS_MATCH_DELTA, + help = paste( + "[default %default]", + "Fragment match delta" + ), + metavar = "numeric" + ) + parser <- optparse::add_option( + parser, + c("--fragment_match_delta_unit"), + type = "character", + action = "store", + default = DEFAULT_FRAGMENTS_MATCH_DELTA_UNIT, + help = paste( + "[default %default]", + "Fragment match delta" + ), + metavar = "character" + ) return(parser) } @@ -559,8 +974,6 @@ } check_args_validity <- function(args) { ## nolint cyclocomp_linter - sysvars <- Sys.getenv() - sysvarnames <- names(sysvars) if (length(args$output) == 0 || nchar(args$output[1]) == 0) { stop_with_status( "Missing output parameters. Please set it with --output.", @@ -612,15 +1025,21 @@ MISSING_INPUT_FILE_ERROR ) } - if ( + if (in_galaxy_env()) { + check_galaxy_args_validity(args) + } +} + +in_galaxy_env <- function() { + sysvars <- Sys.getenv() + sysvarnames <- names(sysvars) + return( "_GALAXY_JOB_HOME_DIR" %in% sysvarnames || "_GALAXY_JOB_TMP_DIR" %in% sysvarnames || "GALAXY_MEMORY_MB" %in% sysvarnames || "GALAXY_MEMORY_MB_PER_SLOT" %in% sysvarnames || "GALAXY_SLOTS" %in% sysvarnames - ) { - check_galaxy_args_validity(args) - } + ) } check_galaxy_args_validity <- function(args) { @@ -638,38 +1057,53 @@ get_csv_or_tsv <- function( path, sep_stack = c("\t", ",", ";"), + sep_names = c("tab", "comma", "semicolon"), header = TRUE, quote = "\"" ) { - sep <- sep_stack[1] - result <- tryCatch({ - read.table( - file = path, - sep = sep, - header = header, - quote = quote - ) - }, error = function(e) { - return(data.frame()) - }) - if (length(sep_stack) == 1) { - return(result) + sep <- determine_csv_or_tsv_sep( + path = path, + sep_stack = sep_stack, + header = header, + quote = quote + ) + verbose_catf( + "%s separator has been determined for %s.\n", + sep_names[sep_stack == sep], + path + ) + return(read.table( + file = path, + sep = sep, + header = header, + quote = quote + )) +} + +determine_csv_or_tsv_sep <- function( + path, + sep_stack = c("\t", ",", ";"), + header = TRUE, + quote = "\"" +) { + count <- -1 + best_sep <- sep_stack[1] + for (sep in sep_stack) { + tryCatch({ + table <- read.table( + file = path, + sep = sep, + header = header, + quote = quote, + nrows = 1 + ) + if (ncol(table) > count) { + count <- ncol(table) + best_sep <- sep + } + }) } - # if ( - # ncol(result) == 0 || ## failed - # ncol(result) == 1 ## only one row, suspicious, possible fail # nolint - # ) { - new_result <- get_csv_or_tsv( - path, - sep_stack = sep_stack[-1], - header = header, - quote = quote - ) - if (ncol(new_result) > ncol(result)) { - return(new_result) - } - # } - return(result) + return(best_sep) } uniformize_columns <- function(df) { @@ -681,24 +1115,54 @@ return(df) } +handle_galaxy_param <- function(args) { + for (param in names(args)) { + if (is.character(args[[param]])) { + args[[param]] <- gsub("__ob__", "[", args[[param]]) + args[[param]] <- gsub("__cb__", "]", args[[param]]) + } + } + return(args) +} + +zip_pdfs <- function(processing_parameters) { + if (processing_parameters$do_pdf) { + if (zip <- Sys.getenv("R_ZIPCMD", "zip") == "") { + catf("R could not fin the zip executable. Trying luck: zip = \"zip\"") + zip <- "zip" + } else { + catf("Found zip executable at %s .", zip) + } + utils::zip( + processing_parameters$pdf_zip_path, + processing_parameters$pdf_path, + zip = zip + ) + } +} + main <- function(args) { if (args$version) { - cat(sprintf("%s\n", MS2SNOOP_VERSION)) + catf("%s\n", MS2SNOOP_VERSION) base::quit(status = 0) } - sessionInfo() + if (in_galaxy_env()) { + print(sessionInfo()) + cat("\n\n") + } check_args_validity(args) + args <- handle_galaxy_param(args) + if (args$ionization == "None") { + args$ionization <- NULL + } if (args$debug) { set_debug() } if (args$verbose) { set_verbose() } - ## MSpurity precursors file precursors <- get_csv_or_tsv(args$precursors) - ## MSpurity fragments file fragments <- get_csv_or_tsv(args$fragments) - ## list of compounds : col1=Name of molecule, col2=m/z, col3=retention time compounds <- get_csv_or_tsv(args$compounds) compounds <- uniformize_columns(compounds) @@ -719,43 +1183,49 @@ ) } - res_all <- NULL + res_all <- data.frame() + processing_parameters <- list( + min_number_scan = args$min_number_scan, + mzdecimal = args$mzdecimal, + r_threshold = args$r_threshold, + seuil_ra = args$seuil_ra, + tolmz = args$tolmz, + tolrt = args$tolrt, + ionization = args$ionization, + do_pdf = nchar(args$pdf_path) > 0, + pdf_zip_path = args$pdf_path, + pdf_path = tempdir(), + fragment_match_delta = args$fragment_match_delta, + fragment_match_delta_unit = args$fragment_match_delta_unit + ) for (i in seq_len(nrow(compounds))) { - ## loop execution for all compounds in the compounds file - res_cor <- NULL + processing_parameters$mzref <- compounds[["mz"]][i] + processing_parameters$rtref <- compounds[["rtsec"]][i] + processing_parameters$c_name <- compounds[["compound_name"]][i] + processing_parameters$inchikey <- compounds[["inchikey"]][i] + processing_parameters$elemcomposition <- compounds[["elemcomposition"]][i] res_cor <- extract_fragments( precursors = precursors, fragments = fragments, - mzref = compounds[["mz"]][i], - rtref = compounds[["rtsec"]][i], - c_name = compounds[["compound_name"]][i], - inchikey = compounds[["inchikey"]][i], - elemcomposition = compounds[["elemcomposition"]][i], - min_number_scan = args$min_number_scan, - mzdecimal = args$mzdecimal, - r_threshold = args$r_threshold, - seuil_ra = args$seuil_ra, - tolmz = args$tolmz, - tolrt = args$tolrt + processing_parameters = processing_parameters ) if (!is.null(res_cor)) { - if (is.null(res_all)) { - res_all <- res_cor - } else { - res_all <- rbind(res_all, res_cor) - } + res_all <- rbind(res_all, res_cor) } } - if (is.null(res_all)) { + if (nrow(res_all) == 0) { stop_with_status("No result at all!", NO_ANY_RESULT_ERROR) } + write.table( x = res_all, file = args$output, sep = "\t", row.names = FALSE ) + zip_pdfs(processing_parameters) + unlink(processing_parameters$pdf_path, recursive = TRUE) } global_debug <- FALSE
--- a/MS2snoop.xml Wed Jul 06 10:38:39 2022 +0000 +++ b/MS2snoop.xml Fri Aug 05 17:25:45 2022 +0000 @@ -1,4 +1,9 @@ -<tool id="ms2snoop" name="MS2 Snoop" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.09"> +<tool + id="ms2snoop" + name="MS2 Snoop" + version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" + profile="21.09" +> <description> MS1/MS2 spectra and associated adducts extraction and cleaning </description> @@ -16,6 +21,8 @@ <requirements> <requirement type="package" version="4.1.3">r-base</requirement> <requirement type="package" version="1.7.1">r-optparse</requirement> + <requirement type="package" version="4.9.15">sirius-csifingerid</requirement> + <requirement type="package" version="3.0">zip</requirement> </requirements> <stdio> <exit_code range="1" level="fatal" description="Missing parameter error" /> @@ -41,6 +48,10 @@ --mzdecimal '$mzdecimal' --r_threshold '$r_threshold' --min_number_scan '$min_number_scan' + --ionization '$sirius.ionization' + --fragment_match_delta '$sirius.fragment_match_delta' + --fragment_match_delta_unit '$sirius.fragment_match_delta_unit' + $advenced.pdf $advenced.debug $advenced.verbose ]]> @@ -51,7 +62,14 @@ type="data" format="tabular,csv,tsv" label="list of compounds" - help="The table must fit the format: col1=Name of molecule, col2=m/z, col3=retention time" + help=" + The table must fit the format: + compound_name [MANDATORY] ; + inchikey [MANDATORY] ; + elemcomposition [OPTIONAL] ; + mz [MANDATORY] ; + rtsec [MANDATORY]. + " /> <param argument="--peaklist_frag_tsv" @@ -72,6 +90,7 @@ max="10" value="0.01" label="MZ Tolerence" + help="M/z tolerance to determine if a precursor matches a compound" /> <param argument="--tolrt" @@ -79,7 +98,11 @@ min="0" max="30" value="20" - label="RT Tolerence" + label="RT Tolerence (in seconds)" + help=" + Retention time tolerance to determine if a + precursor matches a compound + " /> <param argument="--seuil_ra" @@ -87,7 +110,7 @@ min="0" max="1" value="0.05" - label="r pearson correlation threshold between precursor and fragment absolute intensity" + label="R-Pearson correlation threshold used to filter fragments" /> <param argument="--mzdecimal" @@ -95,14 +118,19 @@ min="0" max="5" value="0" - label="nb decimal for mz" + label="Number of decimal to output M/z values with" /> <param argument="--r_threshold" type="float" min="0" value="0.85" - label="fragment absolute intensity" + label=" + Minimun correlation with absolute intensity value to reach + for a fragment to be considered as valid. + In PDF generation, invalid fragments will be + displayed in grey. + " /> <param argument="--min_number_scan" @@ -111,10 +139,71 @@ max="25" value="8" label="Present in at least X scan" - help="fragments are kept if they are found in a minimum number of scans" + help=" + Mininum scan number in which a fragment must be found, + to be kept. + " /> + + <section title="Sirius Parameters" name="sirius"> + <param + argument="--ionization" + type="select" + label="Which ionization" + help="Select the ionization to use in sirius" + optional="true" + > + <option value="[M+H]+" selected="true">[M+H]+</option> + <option value="[M-H]-">[M-H]-</option> + <option value="[M+?]+">[M+?]+</option> + <option value="[M+K]+">[M+K]+</option> + <option value="[M+Na]+">[M+Na]+</option> + <option value="[M+H-H2O]+">[M+H-H2O]+</option> + <option value="[M+H-H4O2]+">[M+H-H4O2]+</option> + <option value="[M+NH4]+">[M+NH4]+</option> + <option value="[M+Cl]-">[M+Cl]-</option> + <option value="[M-H2O-H]-">[M-H2O-H]-</option> + <option value="[M+Br]-">[M+Br]-</option> + </param> + + <param + argument="--fragment_match_delta" + type="float" + min="0" + max="25" + value="10" + label="Fragment match delta" + help=" + Delta that determines if a fragment found by sirius + is linked to a certain M/z value. + Zero means all fragments found by sirius will be + associated even when M/z difference is aberant. + " + /> + <param + argument="--fragment_match_delta_unit" + type="select" + label="Delta unit" + help="Select the unit of the fragment match delta" + optional="true" + > + <option value="ppm" selected="true">PPM</option> + <option value="mz">M/z</option> + </param> + </section> + <section title="Advenced Options" name="advenced"> <param + argument="--pdf" + type="boolean" + value="" + optional="true" + label="Output PDF" + help="The tool will output some pdf in a zip file" + truevalue="--pdf_path '$pdf_output'" + falsevalue="" + /> + <param argument="--verbose" type="boolean" value="" @@ -139,115 +228,227 @@ <outputs> <data name="frag_result_txt" - format="tabular" - label="compound_fragments_result.txt" + format="tsv" + label="${tool.name} on ${peaklist_frag_tsv.name}" /> + <data + name="pdf_output" + format="zip" + label="${tool.name} PDFs for ${peaklist_frag_tsv.name}" + > + <filter>advenced['pdf']</filter> + </data> </outputs> <tests> <test> - <param name="compound_txt" value="compounds_pos.txt" /> - <param name="peaklist_frag_tsv" value="peaklist_fragments.tsv" /> - <param name="peaklist_preco_tsv" value="peaklist_precursors.tsv" /> - <output name="frag_result_txt" file="compound_fragments_result.txt" /> + <!-- Regular test with no option --> + <param + name="compound_txt" + value="compounds_pos.txt" + /> + <param + name="peaklist_frag_tsv" + value="peaklist_fragments.tsv" + /> + <param + name="peaklist_preco_tsv" + value="peaklist_precursors.tsv" + /> + <output + name="frag_result_txt" + file="compound_fragments_result.txt" + /> <assert_stdout> <expand macro="has_regular_stdout"/> <expand macro="has_not_verbose_stdout"/> <expand macro="has_not_debug_stdout"/> </assert_stdout> </test> + <test> - <param name="compound_txt" value="compounds_pos.txt" /> - <param name="peaklist_frag_tsv" value="peaklist_fragments.tsv" /> - <param name="peaklist_preco_tsv" value="peaklist_precursors.tsv" /> + <!-- Regular files with verbose output --> + <param + name="compound_txt" + value="compounds_pos.txt" + /> + <param + name="peaklist_frag_tsv" + value="peaklist_fragments.tsv" + /> + <param + name="peaklist_preco_tsv" + value="peaklist_precursors.tsv" + /> <param name="verbose" value="--verbose" /> - <output name="frag_result_txt" file="compound_fragments_result.txt" /> + <output + name="frag_result_txt" + file="compound_fragments_result.txt" + /> <assert_stdout> <expand macro="has_regular_stdout"/> <expand macro="has_verbose_stdout"/> <expand macro="has_not_debug_stdout"/> </assert_stdout> </test> + <test> - <param name="compound_txt" value="compounds_pos.txt" /> - <param name="peaklist_frag_tsv" value="peaklist_fragments.tsv" /> - <param name="peaklist_preco_tsv" value="peaklist_precursors.tsv" /> + <!-- Regular test with debug outputs --> + <param + name="compound_txt" + value="compounds_pos.txt" + /> + <param + name="peaklist_frag_tsv" + value="peaklist_fragments.tsv" + /> + <param + name="peaklist_preco_tsv" + value="peaklist_precursors.tsv" + /> <param name="debug" value="--debug" /> - <output name="frag_result_txt" file="compound_fragments_result.txt" /> + <output + name="frag_result_txt" + file="compound_fragments_result.txt" + /> <assert_stdout> <expand macro="has_smol_stdout"/> <expand macro="has_debug_stdout"/> <expand macro="has_not_verbose_stdout"/> </assert_stdout> </test> + <test> - <param name="compound_txt" value="compounds_pos.txt" /> - <param name="peaklist_frag_tsv" value="peaklist_fragments.tsv" /> - <param name="peaklist_preco_tsv" value="peaklist_precursors.tsv" /> + <!-- Regular test with both verbose and debug outputs --> + <param + name="compound_txt" + value="compounds_pos.txt" + /> + <param + name="peaklist_frag_tsv" + value="peaklist_fragments.tsv" + /> + <param + name="peaklist_preco_tsv" + value="peaklist_precursors.tsv" + /> <param name="debug" value="--debug" /> <param name="verbose" value="--verbose" /> - <output name="frag_result_txt" file="compound_fragments_result.txt" /> + <output + name="frag_result_txt" + file="compound_fragments_result.txt" + /> <assert_stdout> <expand macro="has_smol_stdout"/> <expand macro="has_debug_stdout"/> <expand macro="has_smol_verbose_stdout"/> </assert_stdout> </test> + <test> - <param name="compound_txt" value="compounds_pos.csv" /> - <param name="peaklist_frag_tsv" value="peaklist_fragments.tsv" /> - <param name="peaklist_preco_tsv" value="peaklist_precursors.csv" /> - <output name="frag_result_txt" file="compound_fragments_result.txt" /> - <assert_stdout> - <expand macro="has_regular_stdout"/> - <expand macro="has_not_verbose_stdout"/> - <expand macro="has_not_debug_stdout"/> - </assert_stdout> - </test> - <test> - <param name="compound_txt" value="compounds_pos.csv" /> - <param name="peaklist_frag_tsv" value="peaklist_fragments.tsv" /> - <param name="peaklist_preco_tsv" value="peaklist_precursors.csv" /> + <!-- + This test mixes tsv, csv, and so, and ms2snoop is expected + handle them like usual. + --> + <param + name="compound_txt" + value="compounds_pos.csv" + /> + <param + name="peaklist_frag_tsv" + value="peaklist_fragments.tsv" + /> + <param + name="peaklist_preco_tsv" + value="peaklist_precursors.csv" + /> <param name="verbose" value="--verbose" /> - <output name="frag_result_txt" file="compound_fragments_result.txt" /> + <output + name="frag_result_txt" + file="compound_fragments_result.txt" + /> <assert_stdout> <expand macro="has_regular_stdout"/> <expand macro="has_verbose_stdout"/> <expand macro="has_not_debug_stdout"/> </assert_stdout> </test> + <test> - <param name="compound_txt" value="compounds_pos.csv" /> - <param name="peaklist_frag_tsv" value="peaklist_fragments.tsv" /> - <param name="peaklist_preco_tsv" value="peaklist_precursors.csv" /> - <param name="debug" value="--debug" /> - <output name="frag_result_txt" file="compound_fragments_result.txt" /> - <assert_stdout> - <expand macro="has_smol_stdout"/> - <expand macro="has_debug_stdout"/> - <expand macro="has_not_verbose_stdout"/> - </assert_stdout> + <!-- + This test contains smaller datasets. This is the "regular" + smol test, to prepare further smolah tests. + --> + <param name="ionization" value="[M+?]+" /> + <param name="mzdecimal" value="3" /> + <param name="compound_txt" value="smol/smol_compounds_pos.csv"/> + <param name="peaklist_frag_tsv" value="smol/smol_fragments.tsv" /> + <param name="peaklist_preco_tsv" value="smol/smol_precursors.tsv" /> + <output name="frag_result_txt" file="smol/out-smol-base.tsv" /> </test> + + <test> + <!-- + Test for pdf generation + --> + <param name="pdf" value="True" /> + <param name="ionization" value="[M+?]+" /> + <param name="mzdecimal" value="3" /> + <param name="compound_txt" value="smol/smol_compounds_pos.csv"/> + <param name="peaklist_frag_tsv" value="smol/smol_fragments.tsv" /> + <param name="peaklist_preco_tsv" value="smol/smol_precursors.tsv" /> + <output name="frag_result_txt" file="smol/out-smol-base.tsv" /> + </test> + <test> - <param name="compound_txt" value="compounds_pos.csv" /> - <param name="peaklist_frag_tsv" value="peaklist_fragments.tsv" /> - <param name="peaklist_preco_tsv" value="peaklist_precursors.csv" /> - <param name="debug" value="--debug" /> - <param name="verbose" value="--verbose" /> - <output name="frag_result_txt" file="compound_fragments_result.txt" /> - <assert_stdout> - <expand macro="has_smol_stdout"/> - <expand macro="has_debug_stdout"/> - <expand macro="has_smol_verbose_stdout"/> - </assert_stdout> + <!-- + test for delta in ppm + --> + <param name="ionization" value="[M+?]+" /> + <param name="mzdecimal" value="3" /> + <param name="compound_txt" value="smol/smol_compounds_pos.csv"/> + <param name="peaklist_frag_tsv" value="smol/smol_fragments.tsv" /> + <param name="peaklist_preco_tsv" value="smol/smol_precursors.tsv" /> + <param name="fragment_match_delta" value="8.542" /> + <output name="frag_result_txt" file="smol/out-smol-delta-8.542.tsv" /> </test> + + <test> + <!-- + test for delta in m/z + --> + <param name="ionization" value="[M+?]+" /> + <param name="mzdecimal" value="3" /> + <param name="compound_txt" value="smol/smol_compounds_pos.csv"/> + <param name="peaklist_frag_tsv" value="smol/smol_fragments.tsv" /> + <param name="peaklist_preco_tsv" value="smol/smol_precursors.tsv" /> + <param name="fragment_match_delta" value="0.05" /> + <param name="fragment_match_delta_unit" value="mz" /> + <output name="frag_result_txt" file="smol/out-smol-delta-0.05mz.tsv" /> + </test> + + <!-- === expected to fail tests === --> <test expect_exit_code="2" expect_failure="true"> - <param name="compound_txt" value="compounds_pos_old_format.txt" /> - <param name="peaklist_frag_tsv" value="peaklist_fragments.tsv" /> - <param name="peaklist_preco_tsv" value="peaklist_precursors.csv" /> + <!-- + This test uses old format for molecules file. + Is is expected to fail + --> + <param + name="compound_txt" + value="compounds_pos_old_format.txt" + /> + <param + name="peaklist_frag_tsv" + value="peaklist_fragments.tsv" + /> + <param + name="peaklist_preco_tsv" + value="peaklist_precursors.csv" + /> <assert_stderr> <has_line line="Error: Some columns are missing: compound_name, rtsec, inchikey" /> </assert_stderr> </test> + </tests> <help><![CDATA[
--- a/README.md Wed Jul 06 10:38:39 2022 +0000 +++ b/README.md Fri Aug 05 17:25:45 2022 +0000 @@ -5,8 +5,8 @@ ----------- * **@name**: MS2 Snoop - * **@version**: 2.0.0 - * **@authors**: Jean François Martin (INRAE) + * **@version**: 2.1.0 + * **@authors**: Jean François Martin (INRAE), Kevin Wagner (INRAE) * **@maintainers**: Lain Pavot (PFEM - INRAE - MetaboHUB) * **@init date**: 2022, April * **@main usage**:
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/environment.yml Fri Aug 05 17:25:45 2022 +0000 @@ -0,0 +1,9 @@ +channels: + - conda-forge + - bioconda +dependencies: + - r-base=4.1.3 + - r-optparse=1.7.1 + - sirius-csifingerid=4.9.15 +platforms: + - linux-64 \ No newline at end of file
--- a/macros.xml Wed Jul 06 10:38:39 2022 +0000 +++ b/macros.xml Fri Aug 05 17:25:45 2022 +0000 @@ -81,6 +81,16 @@ Changelog/News -------------- + +2.1.0 + | Adds support for sirius to match fragments with their formula + | Adds support for PDF generation from galaxy + | Fix: default RA threshold, that was too high (0.5 -> 0.05) + | Fix: default mz decimal number (0 -> 3) + | Fix: mz decimal: rounded values were used instead of original one in + some computing ; rounded values are still output. + | Fix: missing session info is now display when launched from galaxy. + 2.0.0 | This version is motivated by a strengthening of the quality of the input files. @@ -125,49 +135,47 @@ </token> - <token name="@TOOL_VERSION@">2.0.0</token> + <token name="@TOOL_VERSION@">2.1.0</token> <token name="@VERSION_SUFFIX@">0</token> <xml name="has_smol_stdout"> - <has_line line="processing 2-diethylamino-6-methyl pyrimidin-4-ol one " /> - <has_line line="processing 5-hydroxy-thiabendazole " /> - <has_line line="processing Tylosin " /> + <has_line line="processing 2-diethylamino-6-methyl pyrimidin-4-ol one" /> </xml> <xml name="has_regular_stdout"> - <has_line line="processing 2-diethylamino-6-methyl pyrimidin-4-ol one " /> - <has_line line="processing 5-hydroxy-thiabendazole " /> - <has_line line="processing acetamiprid-N-desmethyl " /> - <has_line line="processing Acetochlor " /> - <has_line line="processing Avermectin B1a (Abamectin) " /> - <has_line line="processing Benzophenone-3 (Oxybenzone) " /> - <has_line line="processing Butocarboxim " /> - <has_line line="processing Carbendazim " /> - <has_line line="processing Cefoperazone " /> - <has_line line="processing Chlorfenvinphos " /> - <has_line line="processing Chlormequat " /> - <has_line line="processing Desisopropylatrazine " /> - <has_line line="processing Dichlorvos " /> - <has_line line="processing Dimethyldithiophosphate " /> - <has_line line="processing Emamectin B1a " /> - <has_line line="processing Fluopyram " /> - <has_line line="processing Hydroxy-tebuconazole " /> - <has_line line="processing Isoproturon " /> - <has_line line="processing Ivermectin B1a " /> - <has_line line="processing Malathion dicarboxilic acid " /> - <has_line line="processing Methamidophos " /> - <has_line line="processing Metolachlor " /> - <has_line line="processing N,N-diethyl-m-toluamide ou DEET " /> - <has_line line="processing Nigericin " /> - <has_line line="processing Omethoate " /> - <has_line line="processing Prochloraz " /> - <has_line line="processing p-Toluenesulfonamide " /> - <has_line line="processing Rifaximin " /> - <has_line line="processing Spinosad A (Spinosyn A) " /> - <has_line line="processing TCMTB " /> - <has_line line="processing Trichlorfon (Dylox) " /> - <has_line line="processing Tylosin " /> - <has_line line=" non detected in precursor file " min="6" /> + <has_line line="processing 2-diethylamino-6-methyl pyrimidin-4-ol one" /> + <has_line line="processing 5-hydroxy-thiabendazole" /> + <has_line line="processing acetamiprid-N-desmethyl" /> + <has_line line="processing Acetochlor" /> + <has_line line="processing Avermectin B1a (Abamectin)" /> + <has_line line="processing Benzophenone-3 (Oxybenzone)" /> + <has_line line="processing Butocarboxim" /> + <has_line line="processing Carbendazim" /> + <has_line line="processing Cefoperazone" /> + <has_line line="processing Chlorfenvinphos" /> + <has_line line="processing Chlormequat" /> + <has_line line="processing Desisopropylatrazine" /> + <has_line line="processing Dichlorvos" /> + <has_line line="processing Dimethyldithiophosphate" /> + <has_line line="processing Emamectin B1a" /> + <has_line line="processing Fluopyram" /> + <has_line line="processing Hydroxy-tebuconazole" /> + <has_line line="processing Isoproturon" /> + <has_line line="processing Ivermectin B1a " /> + <has_line line="processing Malathion dicarboxilic acid" /> + <has_line line="processing Methamidophos" /> + <has_line line="processing Metolachlor" /> + <has_line line="processing N,N-diethyl-m-toluamide ou DEET" /> + <has_line line="processing Nigericin" /> + <has_line line="processing Omethoate" /> + <has_line line="processing Prochloraz" /> + <has_line line="processing p-Toluenesulfonamide" /> + <has_line line="processing Rifaximin" /> + <has_line line="processing Spinosad A (Spinosyn A)" /> + <has_line line="processing TCMTB" /> + <has_line line="processing Trichlorfon (Dylox)" /> + <has_line line="processing Tylosin" /> + <has_line line="> non detected in precursor file" min="6" /> </xml> <xml name="has_not_debug_stdout"> @@ -178,81 +186,51 @@ <xml name="has_debug_stdout"> <has_line line=" acquisitionNum mz68 mz71 mz74 mz81 mz82 mz83" /> - <has_line line=" acquisitionNum mz67 mz71 mz84 mz85 mz86 mz87" /> - <!-- - <has_line line=" acquisitionNum mz63 mz67 mz71 mz73 mz77 mz79" /> - <has_line line=" acquisitionNum mz79 mz81 mz84 mz86 mz88 mz90" /> - <has_line line=" acquisitionNum mz67 mz69 mz71 mz72 mz73 mz75" /> - <has_line line=" acquisitionNum mz99 mz100 mz109 mz132 mz135 mz142 mz145" /> - <has_line line=" acquisitionNum mz105 mz109 mz111 mz112 mz114 mz115" /> - <has_line line=" acquisitionNum mz105 mz109 mz111 mz116 mz119 mz125" /> - <has_line line=" acquisitionNum mz79 mz91 mz92 mz94 mz103 mz104" /> - <has_line line=" acquisitionNum mz61 mz73 mz76 mz79 mz91 mz92" /> - <has_line line=" acquisitionNum mz67 mz72 mz73 mz76 mz77 mz78" /> - <has_line line=" acquisitionNum mz123 mz124 mz125 mz127 mz130 mz131" /> - <has_line line=" acquisitionNum mz96 mz97 mz99 mz100 mz101 mz103" /> - <has_line line=" acquisitionNum mz69 mz72 mz73 mz79 mz81 mz85" /> - <has_line line=" acquisitionNum mz82 mz83 mz85 mz87 mz91 mz94" /> - <has_line line=" acquisitionNum mz60 mz68 mz69 mz71 mz78 mz81" /> - <has_line line=" acquisitionNum mz84 mz86 mz87 mz88 mz89 mz91" /> - <has_line line=" acquisitionNum mz86 mz95 mz97 mz105 mz106 mz107" /> - <has_line line=" acquisitionNum mz72 mz91 mz99 mz100 mz105 mz109" /> - <has_line line=" acquisitionNum mz216 mz225 mz229 mz245 mz247 mz249" /> - <has_line line=" acquisitionNum mz61 mz70 mz71 mz72 mz77 mz81" /> - <has_line line=" acquisitionNum mz112 mz121 mz133 mz134 mz135 mz136" /> - <has_line line=" acquisitionNum mz115 mz116 mz119 mz120 mz127 mz135" /> - <has_line line=" acquisitionNum mz86 mz90 mz91 mz94 mz99 mz100" /> - <has_line line=" acquisitionNum mz219 mz221 mz223 mz225 mz226 mz227" /> - <has_line line=" acquisitionNum mz230 mz233 mz241 mz243 mz255 mz260" /> - <has_line line=" acquisitionNum mz75 mz81 mz89 mz91 mz93 mz95" /> - <has_line line=" acquisitionNum mz69 mz72 mz75 mz80 mz81 mz83" /> - <has_line line=" acquisitionNum mz77 mz79 mz81 mz82 mz83 mz85" /> - --> <has_line line=" mz243 mz248 mz256 mz257 mz258" /> </xml> <xml name="has_not_verbose_stdout"> - <has_line negate="true" line=" fragments : 68 71 74 81 82 83 84 94 97 99 102 103 104 105 109 111 112 117 118 120 121 123 124 126 128 134 136 137 139 140 141 144 146 147 148 149 150 151 152 154 162 163 164 165 166 167 168 180 181 182 183" /> - <has_line negate="true" line=" fragments : 67 71 84 85 86 87 88 89 91 92 95 96 98 99 105 107 110 112 114 116 118 119 120 123 124 126 127 128 129 130 132 134 135 136 139 140 141 142 143 144 145 146 147 148 155 156 157 158 159 160 161 162 164 168 170 172 173 174 175 176 177 180 182 183 185 186 188 189 190 191 192 198 200 201 203 204 205 206 208 218 219" /> - <has_line negate="true" line=" fragments : 77 79 81 82 83 85 88 89 91 92 93 95 96 97 99 101 103 105 106 107 108 109 110 111 113 114 115 117 118 119 121 125 127 129 131 133 135 137 138 139 140 141 142 143 145 147 148 149 153 154 155 156 159 161 163 165 167 169 171 172 173 174 175 177 178 179 181 183 184 185 186 187 191 193 195 196 197 198 199 200 201 203 205 209 211 212 213 214 215 219 221 222 224 225 226 227 228 229 236 239 240 241 243 248 256 257 258" /> + <has_line negate="true" line=">> fragments: 68 71 74 81 82 83 84 94 97 99 102 103 104 105 109 111 112 117 118 120 121 123 124 126 128 134 136 137 139 140 141 144 146 147 148 149 150 151 152 154 162 163 164 165 166 167 168 180 181 182 183" /> + <has_line negate="true" line=">> fragments: 67 71 84 85 86 87 88 89 91 92 95 96 98 99 105 107 110 112 114 116 118 119 120 123 124 126 127 128 129 130 132 134 135 136 139 140 141 142 143 144 145 146 147 148 155 156 157 158 159 160 161 162 164 168 170 172 173 174 175 176 177 180 182 183 185 186 188 189 190 191 192 198 200 201 203 204 205 206 208 218 219" /> + <has_line negate="true" line=">> fragments: 77 79 81 82 83 85 88 89 91 92 93 95 96 97 99 101 103 105 106 107 108 109 110 111 113 114 115 117 118 119 121 125 127 129 131 133 135 137 138 139 140 141 142 143 145 147 148 149 153 154 155 156 159 161 163 165 167 169 171 172 173 174 175 177 178 179 181 183 184 185 186 187 191 193 195 196 197 198 199 200 201 203 205 209 211 212 213 214 215 219 221 222 224 225 226 227 228 229 236 239 240 241 243 248 256 257 258" /> </xml> <xml name="has_smol_verbose_stdout"> - <has_line line=" fragments : 68 71 74 81 82 83 84 94 97 99 102 103 104 105 109 111 112 117 118 120 121 123 124 126 128 134 136 137 139 140 141 144 146 147 148 149 150 151 152 154 162 163 164 165 166 167 168 180 181 182 183" /> - <has_line line=" fragments : 67 71 84 85 86 87 88 89 91 92 95 96 98 99 105 107 110 112 114 116 118 119 120 123 124 126 127 128 129 130 132 134 135 136 139 140 141 142 143 144 145 146 147 148 155 156 157 158 159 160 161 162 164 168 170 172 173 174 175 176 177 180 182 183 185 186 188 189 190 191 192 198 200 201 203 204 205 206 208 218 219" /> + <has_line line=">> fragments: 68 71 74 81 82 83 84 94 97 99 102 103 104 105 109 111 112 117 118 120 121 123 124 126 128 134 136 137 139 140 141 144 146 147 148 149 150 151 152 154 162 163 164 165 166 167 168 180 181 182 183" /> + <!-- <has_line line=">> fragments: 67 71 84 85 86 87 88 89 91 92 95 96 98 99 105 107 110 112 114 116 118 119 120 123 124 126 127 128 129 130 132 134 135 136 139 140 141 142 143 144 145 146 147 148 155 156 157 158 159 160 161 162 164 168 170 172 173 174 175 176 177 180 182 183 185 186 188 189 190 191 192 198 200 201 203 204 205 206 208 218 219" /> --> </xml> <xml name="has_verbose_stdout"> - <has_line line=" fragments : 68 71 74 81 82 83 84 94 97 99 102 103 104 105 109 111 112 117 118 120 121 123 124 126 128 134 136 137 139 140 141 144 146 147 148 149 150 151 152 154 162 163 164 165 166 167 168 180 181 182 183" /> - <has_line line=" fragments : 67 71 84 85 86 87 88 89 91 92 95 96 98 99 105 107 110 112 114 116 118 119 120 123 124 126 127 128 129 130 132 134 135 136 139 140 141 142 143 144 145 146 147 148 155 156 157 158 159 160 161 162 164 168 170 172 173 174 175 176 177 180 182 183 185 186 188 189 190 191 192 198 200 201 203 204 205 206 208 218 219" /> - <has_line line=" fragments : 63 67 71 73 77 79 81 83 85 90 93 95 97 99 105 107 109 110 111 113 115 117 119 121 122 123 126 127 129 130 131 132 133 134 135 136 137 138 139 141 142 145 146 147 148 149 150 151 153 156 157 159 162 163 165 166 167 168 172 173 174 175 176 177 178 179 180 181 182 183 189 191 192 193 194 195 199 200 205 207 209 210 211" /> - <has_line line=" fragments : 79 81 84 86 88 90 91 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 117 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 140 141 142 143 144 145 146 147 148 149 150 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 216 217 218 219 220 221 222 224 225 226 227 228 229 232 233 234 235 236 237 238 239 240 241 242 243 248 249 250 252 253 254 255 256 259 261 262 265 267 268 269 270 271 279" /> - <has_line line=" fragments : 67 69 71 72 73 75 77 81 83 85 86 89 93 95 96 97 98 99 100 101 102 103 105 106 107 108 109 110 111 113 115 116 118 119 120 121 122 123 124 125 127 128 129 131 133 134 135 137 138 139 141 142 143 144 145 147 148 149 150 151 152 153 154 155 156 157 158 159 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 201 202 203 205 206 207 208 209 211 212 213 214 215 217 219 220 222 223 226 227 228 229 230 233" /> - <has_line line=" fragments : 99 100 109 132 135 142 145 146 147 150 156 158 159 160 161 162 164 174 175 177 178 180 184 190 192 193 194 195" /> - <has_line line=" fragments : 193 207 212 214 241 255 257 259 261 263 267 287 297 301 304 305 307 308 309 313 315 317 318 319 320 321 322 323 324 326 329 335 337 338 339 340 341 342 343 344 347 352 359 360 361 362 364 374 383 387 389 391 392 393 397 399 400 401 406 410 411 413 418 421 422 427 428 430 434 435 436 438 441 446 450 457 462 463 464 466 473 474 475 479 481 482 484 485 489 493 497 501 502 503 504 508 514 516 517 521 524 525 526 527 529 530 532 533 535 538 541 542 546 547 548 554 555 556 557 558 561 563 564 565 568 572 581 584 585 586 587 588 589 597 600 602 603 604 605 607 609 610 611 612 613 614 615 616 617 628 629 630 631 637 646 647" /> - <has_line line=" fragments : 105 109 111 112 114 115 117 119 120 121 122 123 125 126 127 128 129 131 133 135 137 138 139 140 141 143 145 146 149 151 153 154 155 156 157 159 161 162 163 165 167 168 169 170 171 172 173 174 175 177 179 180 181 182 183 184 185 186 187 189 191 193 195 196 197 198 199 200 201 202 203 205 206 207 209 210 211 212 213 214 215 216 217 218 219 220 221 223 224 225 226 227 228 229 231 233 235 237 239 240 241 242 243 244 245 246 247 248 249 250 251 253 254 255 256 257 258 259 260 261 263 265 266 267 268 269 270 271 273 274 275 277 278 279 280 281 282 283 284 285 286 287 289 291 292 293 295 296 297 298 299 300 301 302 303 305 307 308 309 310 311 312 313 314 315 316 317 318 319 321 323 324 325 326 327 328 329 331 332 333 335 336 338 339 340 341 342 343 345 346 348 349 350 351 352 354 355 358 359 360 362 367 368" /> - <has_line line=" fragments : 105 109 111 116 119 125 127 129 133 135 149 152 153 154 155 156 157 159 165 167 169 170 171 172 173 175 177 178 181 183 185 186 187 189 191 192 193 194 195 197 199 201 203 205 207 209 211 213 214 215 217 218 221 223 227 229 231 233 235 238 239 241 243 244 245 247 249 251 253 255 256 257 259 261 263 265 266 267 268 269 270 271 273 274 275 276 277 281 283 284 285 286 287 289 291 293 295 296 297 298 299 300 301 302 303 305 309 311 312 313 314 315 316 317 321 323 324 325 327 328 329 330 331 341 342 343 344 345 350 359 360" /> - <has_line line=" fragments : 79 91 92 94 103 104 105 106 112 113 122 123" /> - <has_line line=" fragments : 61 73 76 79 91 92 94 104 105 113 122 123 131" /> - <has_line line=" fragments : 79 96 100 115 127 128 130 131 132 133 138 141 142 143 146 150 156 157 159 160 174 175" /> - <has_line line=" fragments : 67 72 73 76 77 78 79 80 81 83 85 87 90 91 93 94 95 97 99 100 101 102 103 104 105 106 107 109 111 113 115 117 119 121 122 123 124 125 126 127 128 129 130 131 133 134 135 136 137 139 141 143 145 146 147 148 149 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 171 173 174 175 176 177 178 179 180 182 184 185 186 188 189 190 191 192 193 194 198 199 200 201 202 203 204 205 206 207 209 212 214 219 221 222" /> - <has_line line=" fragments : 123 124 125 127 130 131 133 135 137 139 141 143 145 146 148 150 151 152 153 154 155 157 159 160 161 162 163 165 166 167 169 170 171 172 173 175 177 178 179 180 181 182 183 185 187 188 190 191 193 194 195 196 197 199 200 204 205 206 208 209 210 211 212 213 214 215 217 219 221 223 224 225 226 227 228 229 231 233 234 235 236 237 238 239 240 241 243 245 247 249 250 251 252 253 255 257 258 259 261 263 264 265 266 267 269 270 271 272 273 275 276 277 278 279 280 281 283 284 285 286 287 289 290 291 292 293 294 295 296 297 298 299 301 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 325 327 329 331 333 334 335 337 338 339 341 343 347 348 349 351 352 353 354 355 356 357 360 361 362 363 364 365 366 367 369 372 373 374 377 378 379 380 381 383 385 387 388 389 395 397 398 404" /> - <has_line line=" fragments : 96 97 99 100 101 103 105 107 108 109 110 111 112 115 116 117 119 121 122 123 124 125 127 128 129 130 132 133 134 136 137 139 141 142 143 144 145 146 147 150 151 153 154 155 156 157 158 159 160 162 163 164 165 166 167 168 169 170 171 172 174 175 176 177 178 179 181 182 183 185 186 187 189 190 191 193 194 195 196 197 198 200 201 203 205 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 231 232 233 234 235 236 237 238 239 240 241 242 243 244 246 247 248 249 250 251 252 253 254 255 256 258 260 261 262 263 264 265 266 267 268 270 271 272 274 275 276 277 278 279 280 281 282 283 284 286 287 288 289 290 291 292 293 294 295 296 297 299 301 302 304 305 306 307 308 309 310 315 316 317 319 324 325" /> - <has_line line=" fragments : 69 72 73 79 81 85 93 95 97 99 103 105 107 109 111 113 119 120 121 123 125 128 131 133 134 135 137 143 145 146 147 149 151 157 159 161 162 163 165 166 171 174 175 177 178 179 180 186 187 189 190 191 192 193 205 206 207 208" /> - <has_line line=" fragments : 82 83 85 87 91 94 95 97 99 101 105 107 108 109 110 111 113 114 115 116 117 118 119 121 123 124 125 126 127 128 129 130 131 133 135 137 139 141 143 145 147 149 151 154 155 157 158 159 160 161 162 163 164 165 168 169 170 171 172 173 174 175 176 177 179 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 211 212 213 214 215 216 217 219 220 221 224 225 227 229 231 232 233 234 237 239 242 243 244 245 246 247 249 251 252 253 254 255 256 257 258 260 261 266 268 269 271 273 274 275 276" /> - <has_line line=" fragments : 60 68 69 71 78 81 82 84 87 93 94 95 96 98 99 100 101 104 106 109 110 111 112 114 115 121 122 124 125 126 133 140 142 143 145" /> - <has_line line=" fragments : 84 86 87 88 89 91 93 95 97 98 99 100 103 105 106 107 108 109 110 111 112 114 119 120 121 122 123 124 125 126 127 130 131 134 135 136 137 138 139 140 141 142 143 145 146 148 150 152 153 154 155 156 158 159 160 161 162 165 166 168 169 170 171 172 173 174 176 177 178 179 180 181 182 183 184 185 186 187 188 190 191 192 193 194 195 196 197 198 199 200 202 204 205 206 207 208 209 210 211 212 213 214 215 216 217 219 220 221 222 223 224 225 226 227 228 229 230 231 232 234 237 238 239 240 241 242 243 244 245 246 248 249 251 252 253 254 256 257 261 262 263 264 265 266 267 268 269 270 273 274 275 276 277 284 285 287" /> - <has_line line=" fragments : 86 95 97 105 106 107 110 120 122 124 125 126 129 132 133 134 135 138 142 144 146 147 148 149 150 152 153 154 155 156 159 162 164 166 168 170 171 172 174 176 177 178 180 181 184 186 187 191 193 194 196 197 202 206 210 211 212 213 214 218 220 222 223 224 225 226 227 228 230 232 233 234 235 236 237 238 239 240 241 242 246 248 249 251 252 253 254 255 256 258 260 264 265 266 267 268 269 270 272 275 276 284 285" /> - <has_line line=" fragments : 72 91 99 100 105 109 116 119 120 121 122 124 127 128 131 132 133 134 136 139 146 147 148 149 150 151 152 156 158 159 160 161 162 163 164 171 174 175 176 177 178 182 183 192 193 201" /> - <has_line line=" fragments : 216 225 229 245 247 249 254 255 261 262 263 264 265 267 269 271 272 273 276 279 280 282 284 285 287 290 293 294 295 299 301 302 303 305 307 310 311 313 314 315 316 317 318 321 322 323 324 325 327 328 330 333 336 337 339 341 342 343 345 346 347 349 350 353 354 355 356 357 358 359 360 361 363 365 367 369 371 372 373 374 375 376 377 378 380 381 383 385 386 387 389 390 391 393 394 396 397 399 400 401 403 405 407 408 409 410 413 415 416 417 418 419 420 421 422 423 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 441 442 443 447 448 449 450 451 452 453 455 456 457 458 460 461 464 465 466 467 469 470 471 472 473 474 475 476 477 478 479 481 482 483 484 485 486 487 489 491 492 493 494 495 497 498 499 500 501 502 503 505 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 595 596 597 598 599 600 601 602 603 604 605 606 607 608 610 611 612 613 614 615 616 617 618 619 620 621 623 624 625 626 627 628 629 630 631 633 634 635 636 638 639 640 641 642 643 644 645 646 647 649 650 651 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 724 725 726 727 729 730 731 732 733 736 737 738 739 740 741 742 746 747 748 749 750 751 752 753 754 755 757" /> - <has_line line=" fragments : 61 70 71 72 77 81 82 83 84 85 87 88 95 97 98 99 104 105 109 110 112 115 116 118 120 122 124 125 126 127 129 130 133 136 140 141 142 143 145 150 151 153 154 155 156 157 158 163 164 168 169 170 171 172 173 174 176 177 178 181 182 183 184 185 186 187 189 190 191 194 196 197 199 200 201 206 213 214 215" /> - <has_line line=" fragments : 112 121 133 134 135 136 137 139 140 141 142 143 145 149 151 152 153 154 155 156 158 161 163 164 166 169 170 172 173 174 175 176 177 178 180 181 184 185 186 187 188 189 191 192 193 194 195 197 199 200 201 202 203 204 205 206 207 208 209 210 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 238 240 242 243 244 245 246 247 248 250 251 252 253 254 255 256 257 258 260 261 262 263 264 265 266 268 270 271 272 273 274 276 277 278 280 282 283 284 285 286 287 288 289 290 291 293 294 295 296 297 298 299 300 301 302 303 304 306 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 325 326 327 328 330 331 332 333 334 335 336 338 339 340 341 342 343 344 345 346 348 349 350 351 352 353 354 356 357 358 359 360 361 362 365 366 367 368 369 370 374 376 377 384" /> - <has_line line=" fragments : 115 116 119 120 127 135 136 140 143 148 153 159 162 163 164 166 168 171 172 174 175 177 180 181 184 189 190 191 194 195 199 200 201 202 206 208 209 211 213 214 217 218 221 222 223 224 225 226 227 228 230 232 233 234 235 236 238 239 240 242 243 244 245 246 247 248 249 250 251 252 254 255 256 258 259 260 261 263 264 265 266 268 272 273 274 275 276 278 280 282 286 287 288 289 291 292 293 294 296 297 298 299 300 301 302 303 304 308 309 310 312 314 315 316 317 318 320 322 326 328 330 331 332 333 334 337 338 340 341 342 343 344 345 346 347 348 352 353 354 358 359 360 361 362 367 375 376" /> - <has_line line=" fragments : 86 90 91 94 99 100 101 106 111 112 113 114 116 126 128 129 130 131 134 136 138 139 140 141 142 143 144 146 152 154 155 156 157 158 168 170 172 173" /> - <has_line line=" fragments : 219 221 223 225 226 227 229 230 231 233 234 242 243 249 250 251 253 255 265 269 270 271 275 276 279 280 285 286 287 289 291 292 297 301 303 305 307 308 312 313 315 316 318 319 329 332 333 334 344 345 346 347 348 349 357 360 361 362 363 365 366 372 373 376 377 378 385 386 387 388 389 390 394 395 397 398 399 400 401 403 404 408 409 411 412 414 418 419 427 438 439 440 441 442 443 444 445 447 448 454 455 456 457 458 464 466 467 469 478 479 480 482 483 484 486 487 494 495 496 498 501 502 504 505 506 508 509 511 512 513 514 515 516 518 524 525 526 529 531 534 536 537 538 539 540 542 543 546 550 551 552 553 554 555 559 561 564 567 570 571 572 581 582 584 585 586 591 592 593 596 597 598 601 602 604 606 607 609 611 612 613 614 615 617 618 619 621 622 623 624 625 626 627 628 632 636 638 639 640 641 642 643 644 645 646 648 649 650 651 652 653 654 655 656 657 658 659 661 663 665 666 667 669 670 671 672 673 674 675 676 677 678 679 680 682 684 685 686 688 689 690 691 692 694 695 696 698 699 700 701 702 703 704 706 708 709 710 712 713 714 716 718 719 720 722 724 725 726 727 728 729 730 731 732 733 735 736 737 739 740 741 742 743 744 745 747 748 750 751 752 753 754 755 756 758 760 765 766 768 769 770 771 773 774 775 776 777 778 780 784 786 787 788 796" /> - <has_line line=" fragments : 230 233 241 243 255 260 261 266 267 269 285 295 301 309 310 318 321 326 327 332 339 345 362 371 372 373 375 377 395 400 406 408 411 412 416 418 424 425 439 440 446 449 452 457 459 468 473 474 482 486 489 490 491 494 499 500 501 503 506 507 508 509 510 511 514 516 519 522 523 525 538 539 541 543 545 546 551 552 556 557 560 564 565 568 570 572 573 580 582 584 585 586 588 590 592 600 602 604 606 607 608 609 612 615 618 623 624 628 636 637 638 639 641 642 643 647 649 650 652 655 659 663 670 671 672 673 674 679 680 682 683 684 685 686 688 690 691 692 693 696 699 700 701 702 705 706 707 709 711 712 714 715 716 717 718 723 724 726 728 729 730 731 732 733 738 742" /> - <has_line line=" fragments : 75 81 89 91 93 95 97 99 105 106 107 109 110 111 113 115 119 121 123 125 127 129 133 135 136 137 139 141 149 151 153 155 156 157 158 159 161 163 164 165 166 167 168 169 171 173 175 177 179 180 181 183 185 189 191 193 194 195 196 197 198 203 205 206 207 209 211 212 218 219 221 222 223 225 227 229 238 239 240 241" /> - <has_line line=" fragments : 69 72 75 80 81 83 86 89 91 93 94 95 96 97 98 99 100 103 104 105 107 109 110 111 113 114 115 116 117 118 119 121 122 123 124 125 127 128 129 131 132 133 134 135 136 137 138 139 140 141 142 143 145 146 147 149 150 151 152 153 154 155 157 158 159 160 161 163 164 165 166 167 168 169 170 171 173 175 177 178 179 180 181 182 183 185 187 189 191 192 193 194 195 196 197 198 199 201 202 203 204 205 206 207 208 209 211 212 213 214 217 218 219 221 222 223 224 225 227 229 230 231 237 239 240 241 247" /> - <has_line line=" fragments : 77 79 81 82 83 85 88 89 91 92 93 95 96 97 99 101 103 105 106 107 108 109 110 111 113 114 115 117 118 119 121 125 127 129 131 133 135 137 138 139 140 141 142 143 145 147 148 149 153 154 155 156 159 161 163 165 167 169 171 172 173 174 175 177 178 179 181 183 184 185 186 187 191 193 195 196 197 198 199 200 201 203 205 209 211 212 213 214 215 219 221 222 224 225 226 227 228 229 236 239 240 241 243 248 256 257 258" /> + <has_line line=">> fragments: 68 71 74 81 82 83 84 94 97 99 102 103 104 105 109 111 112 117 118 120 121 123 124 126 128 134 136 137 139 140 141 144 146 147 148 149 150 151 152 154 162 163 164 165 166 167 168 180 181 182 183" /> + <has_line line=">> fragments: 67 71 84 85 86 87 88 89 91 92 95 96 98 99 105 107 110 112 114 116 118 119 120 123 124 126 127 128 129 130 132 134 135 136 139 140 141 142 143 144 145 146 147 148 155 156 157 158 159 160 161 162 164 168 170 172 173 174 175 176 177 180 182 183 185 186 188 189 190 191 192 198 200 201 203 204 205 206 208 218 219" /> + <has_line line=">> fragments: 63 67 71 73 77 79 81 83 85 90 93 95 97 99 105 107 109 110 111 113 115 117 119 121 122 123 126 127 129 130 131 132 133 134 135 136 137 138 139 141 142 145 146 147 148 149 150 151 153 156 157 159 162 163 165 166 167 168 172 173 174 175 176 177 178 179 180 181 182 183 189 191 192 193 194 195 199 200 205 207 209 210 211" /> + <has_line line=">> fragments: 79 81 84 86 88 90 91 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 117 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 140 141 142 143 144 145 146 147 148 149 150 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 216 217 218 219 220 221 222 224 225 226 227 228 229 232 233 234 235 236 237 238 239 240 241 242 243 248 249 250 252 253 254 255 256 259 261 262 265 267 268 269 270 271 279" /> + <has_line line=">> fragments: 67 69 71 72 73 75 77 81 83 85 86 89 93 95 96 97 98 99 100 101 102 103 105 106 107 108 109 110 111 113 115 116 118 119 120 121 122 123 124 125 127 128 129 131 133 134 135 137 138 139 141 142 143 144 145 147 148 149 150 151 152 153 154 155 156 157 158 159 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 201 202 203 205 206 207 208 209 211 212 213 214 215 217 219 220 222 223 226 227 228 229 230 233" /> + <has_line line=">> fragments: 99 100 109 132 135 142 145 146 147 150 156 158 159 160 161 162 164 174 175 177 178 180 184 190 192 193 194 195" /> + <has_line line=">> fragments: 193 207 212 214 241 255 257 259 261 263 267 287 297 301 304 305 307 308 309 313 315 317 318 319 320 321 322 323 324 326 329 335 337 338 339 340 341 342 343 344 347 352 359 360 361 362 364 374 383 387 389 391 392 393 397 399 400 401 406 410 411 413 418 421 422 427 428 430 434 435 436 438 441 446 450 457 462 463 464 466 473 474 475 479 481 482 484 485 489 493 497 501 502 503 504 508 514 516 517 521 524 525 526 527 529 530 532 533 535 538 541 542 546 547 548 554 555 556 557 558 561 563 564 565 568 572 581 584 585 586 587 588 589 597 600 602 603 604 605 607 609 610 611 612 613 614 615 616 617 628 629 630 631 637 646 647" /> + <has_line line=">> fragments: 105 109 111 112 114 115 117 119 120 121 122 123 125 126 127 128 129 131 133 135 137 138 139 140 141 143 145 146 149 151 153 154 155 156 157 159 161 162 163 165 167 168 169 170 171 172 173 174 175 177 179 180 181 182 183 184 185 186 187 189 191 193 195 196 197 198 199 200 201 202 203 205 206 207 209 210 211 212 213 214 215 216 217 218 219 220 221 223 224 225 226 227 228 229 231 233 235 237 239 240 241 242 243 244 245 246 247 248 249 250 251 253 254 255 256 257 258 259 260 261 263 265 266 267 268 269 270 271 273 274 275 277 278 279 280 281 282 283 284 285 286 287 289 291 292 293 295 296 297 298 299 300 301 302 303 305 307 308 309 310 311 312 313 314 315 316 317 318 319 321 323 324 325 326 327 328 329 331 332 333 335 336 338 339 340 341 342 343 345 346 348 349 350 351 352 354 355 358 359 360 362 367 368" /> + <has_line line=">> fragments: 105 109 111 116 119 125 127 129 133 135 149 152 153 154 155 156 157 159 165 167 169 170 171 172 173 175 177 178 181 183 185 186 187 189 191 192 193 194 195 197 199 201 203 205 207 209 211 213 214 215 217 218 221 223 227 229 231 233 235 238 239 241 243 244 245 247 249 251 253 255 256 257 259 261 263 265 266 267 268 269 270 271 273 274 275 276 277 281 283 284 285 286 287 289 291 293 295 296 297 298 299 300 301 302 303 305 309 311 312 313 314 315 316 317 321 323 324 325 327 328 329 330 331 341 342 343 344 345 350 359 360" /> + <has_line line=">> fragments: 79 91 92 94 103 104 105 106 112 113 122 123" /> + <has_line line=">> fragments: 61 73 76 79 91 92 94 104 105 113 122 123 131" /> + <has_line line=">> fragments: 79 96 100 115 127 128 130 131 132 133 138 141 142 143 146 150 156 157 159 160 174 175" /> + <has_line line=">> fragments: 67 72 73 76 77 78 79 80 81 83 85 87 90 91 93 94 95 97 99 100 101 102 103 104 105 106 107 109 111 113 115 117 119 121 122 123 124 125 126 127 128 129 130 131 133 134 135 136 137 139 141 143 145 146 147 148 149 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 171 173 174 175 176 177 178 179 180 182 184 185 186 188 189 190 191 192 193 194 198 199 200 201 202 203 204 205 206 207 209 212 214 219 221 222" /> + <has_line line=">> fragments: 123 124 125 127 130 131 133 135 137 139 141 143 145 146 148 150 151 152 153 154 155 157 159 160 161 162 163 165 166 167 169 170 171 172 173 175 177 178 179 180 181 182 183 185 187 188 190 191 193 194 195 196 197 199 200 204 205 206 208 209 210 211 212 213 214 215 217 219 221 223 224 225 226 227 228 229 231 233 234 235 236 237 238 239 240 241 243 245 247 249 250 251 252 253 255 257 258 259 261 263 264 265 266 267 269 270 271 272 273 275 276 277 278 279 280 281 283 284 285 286 287 289 290 291 292 293 294 295 296 297 298 299 301 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 325 327 329 331 333 334 335 337 338 339 341 343 347 348 349 351 352 353 354 355 356 357 360 361 362 363 364 365 366 367 369 372 373 374 377 378 379 380 381 383 385 387 388 389 395 397 398 404" /> + <has_line line=">> fragments: 96 97 99 100 101 103 105 107 108 109 110 111 112 115 116 117 119 121 122 123 124 125 127 128 129 130 132 133 134 136 137 139 141 142 143 144 145 146 147 150 151 153 154 155 156 157 158 159 160 162 163 164 165 166 167 168 169 170 171 172 174 175 176 177 178 179 181 182 183 185 186 187 189 190 191 193 194 195 196 197 198 200 201 203 205 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 231 232 233 234 235 236 237 238 239 240 241 242 243 244 246 247 248 249 250 251 252 253 254 255 256 258 260 261 262 263 264 265 266 267 268 270 271 272 274 275 276 277 278 279 280 281 282 283 284 286 287 288 289 290 291 292 293 294 295 296 297 299 301 302 304 305 306 307 308 309 310 315 316 317 319 324 325" /> + <has_line line=">> fragments: 69 72 73 79 81 85 93 95 97 99 103 105 107 109 111 113 119 120 121 123 125 128 131 133 134 135 137 143 145 146 147 149 151 157 159 161 162 163 165 166 171 174 175 177 178 179 180 186 187 189 190 191 192 193 205 206 207 208" /> + <has_line line=">> fragments: 82 83 85 87 91 94 95 97 99 101 105 107 108 109 110 111 113 114 115 116 117 118 119 121 123 124 125 126 127 128 129 130 131 133 135 137 139 141 143 145 147 149 151 154 155 157 158 159 160 161 162 163 164 165 168 169 170 171 172 173 174 175 176 177 179 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 211 212 213 214 215 216 217 219 220 221 224 225 227 229 231 232 233 234 237 239 242 243 244 245 246 247 249 251 252 253 254 255 256 257 258 260 261 266 268 269 271 273 274 275 276" /> + <has_line line=">> fragments: 60 68 69 71 78 81 82 84 87 93 94 95 96 98 99 100 101 104 106 109 110 111 112 114 115 121 122 124 125 126 133 140 142 143 145" /> + <has_line line=">> fragments: 84 86 87 88 89 91 93 95 97 98 99 100 103 105 106 107 108 109 110 111 112 114 119 120 121 122 123 124 125 126 127 130 131 134 135 136 137 138 139 140 141 142 143 145 146 148 150 152 153 154 155 156 158 159 160 161 162 165 166 168 169 170 171 172 173 174 176 177 178 179 180 181 182 183 184 185 186 187 188 190 191 192 193 194 195 196 197 198 199 200 202 204 205 206 207 208 209 210 211 212 213 214 215 216 217 219 220 221 222 223 224 225 226 227 228 229 230 231 232 234 237 238 239 240 241 242 243 244 245 246 248 249 251 252 253 254 256 257 261 262 263 264 265 266 267 268 269 270 273 274 275 276 277 284 285 287" /> + <has_line line=">> fragments: 86 95 97 105 106 107 110 120 122 124 125 126 129 132 133 134 135 138 142 144 146 147 148 149 150 152 153 154 155 156 159 162 164 166 168 170 171 172 174 176 177 178 180 181 184 186 187 191 193 194 196 197 202 206 210 211 212 213 214 218 220 222 223 224 225 226 227 228 230 232 233 234 235 236 237 238 239 240 241 242 246 248 249 251 252 253 254 255 256 258 260 264 265 266 267 268 269 270 272 275 276 284 285" /> + <has_line line=">> fragments: 72 91 99 100 105 109 116 119 120 121 122 124 127 128 131 132 133 134 136 139 146 147 148 149 150 151 152 156 158 159 160 161 162 163 164 171 174 175 176 177 178 182 183 192 193 201" /> + <has_line line=">> fragments: 216 225 229 245 247 249 254 255 261 262 263 264 265 267 269 271 272 273 276 279 280 282 284 285 287 290 293 294 295 299 301 302 303 305 307 310 311 313 314 315 316 317 318 321 322 323 324 325 327 328 330 333 336 337 339 341 342 343 345 346 347 349 350 353 354 355 356 357 358 359 360 361 363 365 367 369 371 372 373 374 375 376 377 378 380 381 383 385 386 387 389 390 391 393 394 396 397 399 400 401 403 405 407 408 409 410 413 415 416 417 418 419 420 421 422 423 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 441 442 443 447 448 449 450 451 452 453 455 456 457 458 460 461 464 465 466 467 469 470 471 472 473 474 475 476 477 478 479 481 482 483 484 485 486 487 489 491 492 493 494 495 497 498 499 500 501 502 503 505 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 595 596 597 598 599 600 601 602 603 604 605 606 607 608 610 611 612 613 614 615 616 617 618 619 620 621 623 624 625 626 627 628 629 630 631 633 634 635 636 638 639 640 641 642 643 644 645 646 647 649 650 651 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 724 725 726 727 729 730 731 732 733 736 737 738 739 740 741 742 746 747 748 749 750 751 752 753 754 755 757" /> + <has_line line=">> fragments: 61 70 71 72 77 81 82 83 84 85 87 88 95 97 98 99 104 105 109 110 112 115 116 118 120 122 124 125 126 127 129 130 133 136 140 141 142 143 145 150 151 153 154 155 156 157 158 163 164 168 169 170 171 172 173 174 176 177 178 181 182 183 184 185 186 187 189 190 191 194 196 197 199 200 201 206 213 214 215" /> + <has_line line=">> fragments: 112 121 133 134 135 136 137 139 140 141 142 143 145 149 151 152 153 154 155 156 158 161 163 164 166 169 170 172 173 174 175 176 177 178 180 181 184 185 186 187 188 189 191 192 193 194 195 197 199 200 201 202 203 204 205 206 207 208 209 210 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 238 240 242 243 244 245 246 247 248 250 251 252 253 254 255 256 257 258 260 261 262 263 264 265 266 268 270 271 272 273 274 276 277 278 280 282 283 284 285 286 287 288 289 290 291 293 294 295 296 297 298 299 300 301 302 303 304 306 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 325 326 327 328 330 331 332 333 334 335 336 338 339 340 341 342 343 344 345 346 348 349 350 351 352 353 354 356 357 358 359 360 361 362 365 366 367 368 369 370 374 376 377 384" /> + <has_line line=">> fragments: 115 116 119 120 127 135 136 140 143 148 153 159 162 163 164 166 168 171 172 174 175 177 180 181 184 189 190 191 194 195 199 200 201 202 206 208 209 211 213 214 217 218 221 222 223 224 225 226 227 228 230 232 233 234 235 236 238 239 240 242 243 244 245 246 247 248 249 250 251 252 254 255 256 258 259 260 261 263 264 265 266 268 272 273 274 275 276 278 280 282 286 287 288 289 291 292 293 294 296 297 298 299 300 301 302 303 304 308 309 310 312 314 315 316 317 318 320 322 326 328 330 331 332 333 334 337 338 340 341 342 343 344 345 346 347 348 352 353 354 358 359 360 361 362 367 375 376" /> + <has_line line=">> fragments: 86 90 91 94 99 100 101 106 111 112 113 114 116 126 128 129 130 131 134 136 138 139 140 141 142 143 144 146 152 154 155 156 157 158 168 170 172 173" /> + <has_line line=">> fragments: 219 221 223 225 226 227 229 230 231 233 234 242 243 249 250 251 253 255 265 269 270 271 275 276 279 280 285 286 287 289 291 292 297 301 303 305 307 308 312 313 315 316 318 319 329 332 333 334 344 345 346 347 348 349 357 360 361 362 363 365 366 372 373 376 377 378 385 386 387 388 389 390 394 395 397 398 399 400 401 403 404 408 409 411 412 414 418 419 427 438 439 440 441 442 443 444 445 447 448 454 455 456 457 458 464 466 467 469 478 479 480 482 483 484 486 487 494 495 496 498 501 502 504 505 506 508 509 511 512 513 514 515 516 518 524 525 526 529 531 534 536 537 538 539 540 542 543 546 550 551 552 553 554 555 559 561 564 567 570 571 572 581 582 584 585 586 591 592 593 596 597 598 601 602 604 606 607 609 611 612 613 614 615 617 618 619 621 622 623 624 625 626 627 628 632 636 638 639 640 641 642 643 644 645 646 648 649 650 651 652 653 654 655 656 657 658 659 661 663 665 666 667 669 670 671 672 673 674 675 676 677 678 679 680 682 684 685 686 688 689 690 691 692 694 695 696 698 699 700 701 702 703 704 706 708 709 710 712 713 714 716 718 719 720 722 724 725 726 727 728 729 730 731 732 733 735 736 737 739 740 741 742 743 744 745 747 748 750 751 752 753 754 755 756 758 760 765 766 768 769 770 771 773 774 775 776 777 778 780 784 786 787 788 796" /> + <has_line line=">> fragments: 230 233 241 243 255 260 261 266 267 269 285 295 301 309 310 318 321 326 327 332 339 345 362 371 372 373 375 377 395 400 406 408 411 412 416 418 424 425 439 440 446 449 452 457 459 468 473 474 482 486 489 490 491 494 499 500 501 503 506 507 508 509 510 511 514 516 519 522 523 525 538 539 541 543 545 546 551 552 556 557 560 564 565 568 570 572 573 580 582 584 585 586 588 590 592 600 602 604 606 607 608 609 612 615 618 623 624 628 636 637 638 639 641 642 643 647 649 650 652 655 659 663 670 671 672 673 674 679 680 682 683 684 685 686 688 690 691 692 693 696 699 700 701 702 705 706 707 709 711 712 714 715 716 717 718 723 724 726 728 729 730 731 732 733 738 742" /> + <has_line line=">> fragments: 75 81 89 91 93 95 97 99 105 106 107 109 110 111 113 115 119 121 123 125 127 129 133 135 136 137 139 141 149 151 153 155 156 157 158 159 161 163 164 165 166 167 168 169 171 173 175 177 179 180 181 183 185 189 191 193 194 195 196 197 198 203 205 206 207 209 211 212 218 219 221 222 223 225 227 229 238 239 240 241" /> + <has_line line=">> fragments: 69 72 75 80 81 83 86 89 91 93 94 95 96 97 98 99 100 103 104 105 107 109 110 111 113 114 115 116 117 118 119 121 122 123 124 125 127 128 129 131 132 133 134 135 136 137 138 139 140 141 142 143 145 146 147 149 150 151 152 153 154 155 157 158 159 160 161 163 164 165 166 167 168 169 170 171 173 175 177 178 179 180 181 182 183 185 187 189 191 192 193 194 195 196 197 198 199 201 202 203 204 205 206 207 208 209 211 212 213 214 217 218 219 221 222 223 224 225 227 229 230 231 237 239 240 241 247" /> + <has_line line=">> fragments: 77 79 81 82 83 85 88 89 91 92 93 95 96 97 99 101 103 105 106 107 108 109 110 111 113 114 115 117 118 119 121 125 127 129 131 133 135 137 138 139 140 141 142 143 145 147 148 149 153 154 155 156 159 161 163 165 167 169 171 172 173 174 175 177 178 179 181 183 184 185 186 187 191 193 195 196 197 198 199 200 201 203 205 209 211 212 213 214 215 219 221 222 224 225 226 227 228 229 236 239 240 241 243 248 256 257 258" /> </xml> </macros> \ No newline at end of file
--- a/planemo_retest.sh Wed Jul 06 10:38:39 2022 +0000 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,5 +0,0 @@ -#!/bin/sh - -export TEST_FLAGS=--failed - -./planemo_test.sh ;
--- a/test-data/compound_fragments_result.txt Wed Jul 06 10:38:39 2022 +0000 +++ b/test-data/compound_fragments_result.txt Fri Aug 05 17:25:45 2022 +0000 @@ -1,1385 +1,743 @@ -"compoundName" "inchikey" "elemcomposition" "fileid" "fragments_mz" "CorWithPrecursor" "AbsoluteIntensity" "relativeIntensity" "corValid" -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 84 0.601436519480403 406.383798606 0.00344160476662782 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 123 -0.167860259307508 295.871994004 0.00250569650751035 FALSE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 126 0.907929868611774 430.137959956 0.00364277527394095 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 137 0.676403388268515 430.806630151 0.00364843814371653 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 146 -0.125051837812104 538.358772757 0.00455928145962519 FALSE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 148 0.1558553290912 143.310915941 0.00121367912083162 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 149 -0.276972713799663 617.416199707 0.00522880720932724 FALSE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 150 -0.410733329402461 5080.527405 0.0430262411887723 FALSE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 151 -0.243340932574313 218.539256565 0.00185077690023418 FALSE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 154 0.991757449276389 16836.882397703 0.14258908675458 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 164 0.146040591250743 1829.10214243 0.0154903976822645 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 180 0.39213526382476 209.753137589 0.00177636854770712 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 182 1 118079.7407496 1 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 84 0.601436519480403 406.383798606 0.00344160476662782 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 123 -0.167860259307508 295.871994004 0.00250569650751035 FALSE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 126 0.907929868611774 430.137959956 0.00364277527394095 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 137 0.676403388268515 430.806630151 0.00364843814371653 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 146 -0.125051837812104 538.358772757 0.00455928145962519 FALSE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 148 0.1558553290912 143.310915941 0.00121367912083162 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 149 -0.276972713799663 617.416199707 0.00522880720932724 FALSE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 150 -0.410733329402461 5080.527405 0.0430262411887723 FALSE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 151 -0.243340932574313 218.539256565 0.00185077690023418 FALSE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 154 0.991757449276389 16836.882397703 0.14258908675458 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 164 0.146040591250743 1829.10214243 0.0154903976822645 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 180 0.39213526382476 209.753137589 0.00177636854770712 TRUE -"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA "7" 182 1 118079.7407496 1 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 132 0.710501933879621 105.532976149 6.84594522892331e-05 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 144 0.276479394498518 203.085251814 0.00013174180824369 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 146 0.604633971720309 166.134730821 0.000107771931516144 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 156 0.191791879044897 459.381193152 0.000298001496998986 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 158 -0.331971393756239 13878.1056368 0.00900275482959977 FALSE -"5-hydroxy-thiabendazole" NA NA "1" 160 0.77523958114776 386.949028017 0.000251014606889261 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 162 -0.476769537229124 213.45186329 0.000138466649801652 FALSE -"5-hydroxy-thiabendazole" NA NA "1" 172 0.593280623618274 794.89456843 0.000515649693282338 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 173 0.89953946593837 207.738348006 0.000134760281031794 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 174 0.150820546879602 1525.52666664 0.000989612193854381 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 175 0.646696639290413 163.18886233 0.000105860940745588 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 176 0.506660895270366 1125.51529793 0.000730124020482966 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 177 -0.349150043770229 185.412219041 0.000120277276605531 FALSE -"5-hydroxy-thiabendazole" NA NA "1" 186 -0.386785516946622 13148.1585083 0.00852923667024592 FALSE -"5-hydroxy-thiabendazole" NA NA "1" 188 -0.333885650073135 540.530680192 0.000350643331229711 FALSE -"5-hydroxy-thiabendazole" NA NA "1" 190 0.710817170481525 358.462937357 0.000232535623015143 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 191 0.943541098312933 285.348824959 0.000185106352354628 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 200 0.285023586376285 2249.33108917 0.00145914556758363 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 204 0.272327432166324 220.729373931 0.000143187585481591 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 218 1 1541539.884122 1 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 219 0.989745977797565 55751.12976688 0.0361658691683048 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 132 0.710501933879621 105.532976149 6.84594522892331e-05 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 144 0.276479394498518 203.085251814 0.00013174180824369 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 146 0.604633971720309 166.134730821 0.000107771931516144 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 156 0.191791879044897 459.381193152 0.000298001496998986 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 158 -0.331971393756239 13878.1056368 0.00900275482959977 FALSE -"5-hydroxy-thiabendazole" NA NA "1" 160 0.77523958114776 386.949028017 0.000251014606889261 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 162 -0.476769537229124 213.45186329 0.000138466649801652 FALSE -"5-hydroxy-thiabendazole" NA NA "1" 172 0.593280623618274 794.89456843 0.000515649693282338 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 173 0.89953946593837 207.738348006 0.000134760281031794 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 174 0.150820546879602 1525.52666664 0.000989612193854381 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 175 0.646696639290413 163.18886233 0.000105860940745588 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 176 0.506660895270366 1125.51529793 0.000730124020482966 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 177 -0.349150043770229 185.412219041 0.000120277276605531 FALSE -"5-hydroxy-thiabendazole" NA NA "1" 186 -0.386785516946622 13148.1585083 0.00852923667024592 FALSE -"5-hydroxy-thiabendazole" NA NA "1" 188 -0.333885650073135 540.530680192 0.000350643331229711 FALSE -"5-hydroxy-thiabendazole" NA NA "1" 190 0.710817170481525 358.462937357 0.000232535623015143 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 191 0.943541098312933 285.348824959 0.000185106352354628 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 200 0.285023586376285 2249.33108917 0.00145914556758363 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 204 0.272327432166324 220.729373931 0.000143187585481591 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 218 1 1541539.884122 1 TRUE -"5-hydroxy-thiabendazole" NA NA "1" 219 0.989745977797565 55751.12976688 0.0361658691683048 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 99 0.667400010170284 282.404261107 0.000748607853773036 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 107 0.644182822419527 250.776102526 0.000664766739544435 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 121 0.468461643454679 182.548945409 0.000483907621278365 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 126 0.99471830230169 148406.8197 0.393402388283387 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 127 0.685580673617811 301.425851346 0.000799031001739535 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 131 0.71686560485514 235.917765632 0.00062537970037848 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 132 0.825023006886452 3437.337815361 0.00911182456866446 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 133 0.609229728784487 1059.475870153 0.00280849854804084 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 135 -0.0630703589928776 1620.073705625 0.00429455240855075 FALSE -"acetamiprid-N-desmethyl" NA NA "2" 139 0.388512588178974 560.54565096 0.00148591552783965 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 141 0.971318347491603 11361.06560494 0.0301163406874599 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 146 0.677368485127156 744.749183894 0.00197420919205914 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 147 0.814646347538386 171.753984928 0.00045529193337915 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 149 -0.156704527239734 1569.49830252 0.00416048522477764 FALSE -"acetamiprid-N-desmethyl" NA NA "2" 151 0.451637386634768 547.910546303 0.00145242191643876 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 153 0.307104196288287 353.766232977 0.00093777685707774 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 156 0.486407391413412 347.237878558 0.000920471249254685 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 159 0.161971228755214 544.50952719 0.00144340636685447 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 163 -0.0146119879123163 804.357781409 0.00213222190786309 FALSE -"acetamiprid-N-desmethyl" NA NA "2" 165 0.907832718528441 5504.73675146 0.0145921635493123 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 167 0.967321684550227 14122.07723917 0.0374353343373474 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 168 0.977465016016083 20360.7667386 0.0539730874796597 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 173 0.825972891702218 4449.28006372 0.0117943192014181 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 174 0.438640287775404 357.580513016 0.00094788789429259 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 175 -0.153796105444945 275.919033053 0.000731416566942933 FALSE -"acetamiprid-N-desmethyl" NA NA "2" 177 -0.495623187250053 34391.2702636 0.0911656747658185 FALSE -"acetamiprid-N-desmethyl" NA NA "2" 179 0.00427133435060827 165.392969587 0.000438429914287877 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 180 0.855262507886083 2962.451229122 0.00785297731644369 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 181 0.514902430711196 334.53332619 0.000886793543245312 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 182 0.983758938668445 16217.3405395 0.0429895372243752 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 191 0.248678055177222 2196.72544869 0.00582316257207377 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 192 0.98871539868282 29705.473639 0.0787443885550213 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 193 0.375698142428829 714.29845333 0.0018934892483728 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 195 0.144605138810588 367.760202152 0.000974872597732636 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 207 0.7622236383338 134.383083348 0.000356227739674342 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 209 1 377239.244397 1 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 210 0.765065526384015 386.747904794 0.00102520591518043 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 99 0.667400010170284 282.404261107 0.000748607853773036 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 107 0.644182822419527 250.776102526 0.000664766739544435 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 121 0.468461643454679 182.548945409 0.000483907621278365 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 126 0.99471830230169 148406.8197 0.393402388283387 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 127 0.685580673617811 301.425851346 0.000799031001739535 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 131 0.71686560485514 235.917765632 0.00062537970037848 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 132 0.825023006886452 3437.337815361 0.00911182456866446 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 133 0.609229728784487 1059.475870153 0.00280849854804084 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 135 -0.0630703589928776 1620.073705625 0.00429455240855075 FALSE -"acetamiprid-N-desmethyl" NA NA "2" 139 0.388512588178974 560.54565096 0.00148591552783965 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 141 0.971318347491603 11361.06560494 0.0301163406874599 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 146 0.677368485127156 744.749183894 0.00197420919205914 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 147 0.814646347538386 171.753984928 0.00045529193337915 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 149 -0.156704527239734 1569.49830252 0.00416048522477764 FALSE -"acetamiprid-N-desmethyl" NA NA "2" 151 0.451637386634768 547.910546303 0.00145242191643876 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 153 0.307104196288287 353.766232977 0.00093777685707774 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 156 0.486407391413412 347.237878558 0.000920471249254685 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 159 0.161971228755214 544.50952719 0.00144340636685447 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 163 -0.0146119879123163 804.357781409 0.00213222190786309 FALSE -"acetamiprid-N-desmethyl" NA NA "2" 165 0.907832718528441 5504.73675146 0.0145921635493123 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 167 0.967321684550227 14122.07723917 0.0374353343373474 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 168 0.977465016016083 20360.7667386 0.0539730874796597 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 173 0.825972891702218 4449.28006372 0.0117943192014181 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 174 0.438640287775404 357.580513016 0.00094788789429259 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 175 -0.153796105444945 275.919033053 0.000731416566942933 FALSE -"acetamiprid-N-desmethyl" NA NA "2" 177 -0.495623187250053 34391.2702636 0.0911656747658185 FALSE -"acetamiprid-N-desmethyl" NA NA "2" 179 0.00427133435060827 165.392969587 0.000438429914287877 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 180 0.855262507886083 2962.451229122 0.00785297731644369 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 181 0.514902430711196 334.53332619 0.000886793543245312 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 182 0.983758938668445 16217.3405395 0.0429895372243752 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 191 0.248678055177222 2196.72544869 0.00582316257207377 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 192 0.98871539868282 29705.473639 0.0787443885550213 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 193 0.375698142428829 714.29845333 0.0018934892483728 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 195 0.144605138810588 367.760202152 0.000974872597732636 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 207 0.7622236383338 134.383083348 0.000356227739674342 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 209 1 377239.244397 1 TRUE -"acetamiprid-N-desmethyl" NA NA "2" 210 0.765065526384015 386.747904794 0.00102520591518043 TRUE -"Acetochlor" NA NA "1" 90 -0.413542784417976 168.935868988 0.00157592376551218 FALSE -"Acetochlor" NA NA "1" 105 0.0886345509407037 645.152495867 0.00601832610627245 TRUE -"Acetochlor" NA NA "1" 106 -0.293052763132192 236.024559512 0.00220176280388344 FALSE -"Acetochlor" NA NA "1" 108 -0.116561248444136 164.247659203 0.0015321896475765 FALSE -"Acetochlor" NA NA "1" 109 -0.378222721795233 71.653102161 0.00066841830124432 FALSE -"Acetochlor" NA NA "1" 131 -0.138102380187011 668.788094532 0.00623881155954778 FALSE -"Acetochlor" NA NA "1" 133 -0.271231157310156 164.479385851 0.00153435131717262 FALSE -"Acetochlor" NA NA "1" 146 0.425554853536635 292.081740854 0.00272469404893927 TRUE -"Acetochlor" NA NA "1" 148 0.0578513509605613 6853.478112981 0.0639328941767335 TRUE -"Acetochlor" NA NA "1" 149 0.301743295670748 176.969023715 0.00165086131147061 TRUE -"Acetochlor" NA NA "1" 158 0.97190874911017 424.736170283 0.00396216522181653 TRUE -"Acetochlor" NA NA "1" 170 -0.13939212527027 148.949374199 0.00138947909679882 FALSE -"Acetochlor" NA NA "1" 181 0.141259460310622 150.438060279 0.00140336635346559 TRUE -"Acetochlor" NA NA "1" 182 -0.0210426315627036 162.282338626 0.00151385609045391 FALSE -"Acetochlor" NA NA "1" 187 -0.0923918791297787 2237.85539434 0.0208759070577874 FALSE -"Acetochlor" NA NA "1" 188 -0.191587550018626 4602.40566264 0.0429336913808246 FALSE -"Acetochlor" NA NA "1" 192 -0.296095034301861 308.925148018 0.00288181832219726 FALSE -"Acetochlor" NA NA "1" 194 0.259284492453656 715.460827596 0.00667419967266773 TRUE -"Acetochlor" NA NA "1" 196 0.256252254525688 141.90940619 0.00132380652554271 TRUE -"Acetochlor" NA NA "1" 198 0.26612556611455 206.362589833 0.0019250601519892 TRUE -"Acetochlor" NA NA "1" 206 -0.103848204114401 1366.751734653 0.0127497881479963 FALSE -"Acetochlor" NA NA "1" 208 0.14680023271578 230.938957684 0.00215432160130942 TRUE -"Acetochlor" NA NA "1" 209 -0.285178652800338 250.230108255 0.00233427972879905 FALSE -"Acetochlor" NA NA "1" 210 -0.150121465648155 2176.80463217 0.0203063930310583 FALSE -"Acetochlor" NA NA "1" 211 0.351817549891049 157.548359398 0.00146969501077594 TRUE -"Acetochlor" NA NA "1" 212 -0.274380798967957 244.831272599 0.00228391651424104 FALSE -"Acetochlor" NA NA "1" 214 -0.258732686623694 176.2052269075 0.00164373620803241 FALSE -"Acetochlor" NA NA "1" 216 -0.418583624117481 94.821614269 0.000884546522333634 FALSE -"Acetochlor" NA NA "1" 224 -0.0120963321458483 107197.9956677 1 FALSE -"Acetochlor" NA NA "1" 226 -0.257432677982489 399.374764942 0.00372558052465841 FALSE -"Acetochlor" NA NA "1" 228 0.263942241843786 184.647782791 0.00172249286603627 TRUE -"Acetochlor" NA NA "1" 229 -0.00925902828729661 307.596475608 0.00286942375827165 FALSE -"Acetochlor" NA NA "1" 234 0.145449046631585 301.330885896 0.00281097500022376 TRUE -"Acetochlor" NA NA "1" 236 0.115607205627716 138.344456677 0.00129055077770157 TRUE -"Acetochlor" NA NA "1" 238 -0.149430685867243 2391.6560440125 0.0223106414361172 FALSE -"Acetochlor" NA NA "1" 240 0.156192678570762 600.865685468 0.00560519515057545 TRUE -"Acetochlor" NA NA "1" 241 0.202965937972007 160.343672044 0.0014957711759933 TRUE -"Acetochlor" NA NA "1" 242 0.124997914136909 329.957005985 0.00307801469542233 TRUE -"Acetochlor" NA NA "1" 252 -0.19893084330067 2059.789746802 0.0192148158552058 FALSE -"Acetochlor" NA NA "1" 253 -0.0791613436472404 452.481779105 0.00422099103893356 FALSE -"Acetochlor" NA NA "1" 256 0.186204065321267 164.824254505 0.00153756843566305 TRUE -"Acetochlor" NA NA "1" 261 -0.242902770076295 257.921786798 0.00240603180303412 FALSE -"Acetochlor" NA NA "1" 270 1 16594.42395571 0.154801625276191 TRUE -"Acetochlor" NA NA "1" 271 -0.253532188775508 779.655446051 0.00727304126532208 FALSE -"Acetochlor" NA NA "1" 90 -0.413542784417976 168.935868988 0.00157592376551218 FALSE -"Acetochlor" NA NA "1" 105 0.0886345509407037 645.152495867 0.00601832610627245 TRUE -"Acetochlor" NA NA "1" 106 -0.293052763132192 236.024559512 0.00220176280388344 FALSE -"Acetochlor" NA NA "1" 108 -0.116561248444136 164.247659203 0.0015321896475765 FALSE -"Acetochlor" NA NA "1" 109 -0.378222721795233 71.653102161 0.00066841830124432 FALSE -"Acetochlor" NA NA "1" 131 -0.138102380187011 668.788094532 0.00623881155954778 FALSE -"Acetochlor" NA NA "1" 133 -0.271231157310156 164.479385851 0.00153435131717262 FALSE -"Acetochlor" NA NA "1" 146 0.425554853536635 292.081740854 0.00272469404893927 TRUE -"Acetochlor" NA NA "1" 148 0.0578513509605613 6853.478112981 0.0639328941767335 TRUE -"Acetochlor" NA NA "1" 149 0.301743295670748 176.969023715 0.00165086131147061 TRUE -"Acetochlor" NA NA "1" 158 0.97190874911017 424.736170283 0.00396216522181653 TRUE -"Acetochlor" NA NA "1" 170 -0.13939212527027 148.949374199 0.00138947909679882 FALSE -"Acetochlor" NA NA "1" 181 0.141259460310622 150.438060279 0.00140336635346559 TRUE -"Acetochlor" NA NA "1" 182 -0.0210426315627036 162.282338626 0.00151385609045391 FALSE -"Acetochlor" NA NA "1" 187 -0.0923918791297787 2237.85539434 0.0208759070577874 FALSE -"Acetochlor" NA NA "1" 188 -0.191587550018626 4602.40566264 0.0429336913808246 FALSE -"Acetochlor" NA NA "1" 192 -0.296095034301861 308.925148018 0.00288181832219726 FALSE -"Acetochlor" NA NA "1" 194 0.259284492453656 715.460827596 0.00667419967266773 TRUE -"Acetochlor" NA NA "1" 196 0.256252254525688 141.90940619 0.00132380652554271 TRUE -"Acetochlor" NA NA "1" 198 0.26612556611455 206.362589833 0.0019250601519892 TRUE -"Acetochlor" NA NA "1" 206 -0.103848204114401 1366.751734653 0.0127497881479963 FALSE -"Acetochlor" NA NA "1" 208 0.14680023271578 230.938957684 0.00215432160130942 TRUE -"Acetochlor" NA NA "1" 209 -0.285178652800338 250.230108255 0.00233427972879905 FALSE -"Acetochlor" NA NA "1" 210 -0.150121465648155 2176.80463217 0.0203063930310583 FALSE -"Acetochlor" NA NA "1" 211 0.351817549891049 157.548359398 0.00146969501077594 TRUE -"Acetochlor" NA NA "1" 212 -0.274380798967957 244.831272599 0.00228391651424104 FALSE -"Acetochlor" NA NA "1" 214 -0.258732686623694 176.2052269075 0.00164373620803241 FALSE -"Acetochlor" NA NA "1" 216 -0.418583624117481 94.821614269 0.000884546522333634 FALSE -"Acetochlor" NA NA "1" 224 -0.0120963321458483 107197.9956677 1 FALSE -"Acetochlor" NA NA "1" 226 -0.257432677982489 399.374764942 0.00372558052465841 FALSE -"Acetochlor" NA NA "1" 228 0.263942241843786 184.647782791 0.00172249286603627 TRUE -"Acetochlor" NA NA "1" 229 -0.00925902828729661 307.596475608 0.00286942375827165 FALSE -"Acetochlor" NA NA "1" 234 0.145449046631585 301.330885896 0.00281097500022376 TRUE -"Acetochlor" NA NA "1" 236 0.115607205627716 138.344456677 0.00129055077770157 TRUE -"Acetochlor" NA NA "1" 238 -0.149430685867243 2391.6560440125 0.0223106414361172 FALSE -"Acetochlor" NA NA "1" 240 0.156192678570762 600.865685468 0.00560519515057545 TRUE -"Acetochlor" NA NA "1" 241 0.202965937972007 160.343672044 0.0014957711759933 TRUE -"Acetochlor" NA NA "1" 242 0.124997914136909 329.957005985 0.00307801469542233 TRUE -"Acetochlor" NA NA "1" 252 -0.19893084330067 2059.789746802 0.0192148158552058 FALSE -"Acetochlor" NA NA "1" 253 -0.0791613436472404 452.481779105 0.00422099103893356 FALSE -"Acetochlor" NA NA "1" 256 0.186204065321267 164.824254505 0.00153756843566305 TRUE -"Acetochlor" NA NA "1" 261 -0.242902770076295 257.921786798 0.00240603180303412 FALSE -"Acetochlor" NA NA "1" 270 1 16594.42395571 0.154801625276191 TRUE -"Acetochlor" NA NA "1" 271 -0.253532188775508 779.655446051 0.00727304126532208 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 77 0.69477920751872 870.478060227 0.0014242295653631 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 89 0.676653604256223 165.940935375 0.000271503667999917 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 95 0.521609484198171 238.079426778 0.000389532802737732 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 99 0.214978774915306 758.42315006 0.00124089132480787 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 103 -0.175614809818246 205.276515963 0.000335862437512779 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 105 0.987595651529689 30618.35601838 0.0500961137065514 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 109 -0.0331819338939282 119.257135388 0.000195122135595017 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 125 0.221534949124524 125.521258344 0.000205371157968629 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 131 -0.0769400909861422 114.41145277 0.000187193889308003 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 133 0.572601862795851 129.429865364 0.000211766211367009 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 145 0.718567048619817 288.210931778 0.00047155528537047 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 147 0.57814551993529 376.0975962 0.000615350737076991 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 151 0.998571995173738 159431.3573291 0.260853045158726 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 155 0.274165989375019 547.054241654 0.00089506084118621 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 157 0.521741962188308 155.837506292 0.000254972978636183 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 159 0.599002952882604 238.00416661 0.000389409666082994 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 167 0.564592368281745 257.318804747 0.000421011242200641 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 168 -0.146991507106656 151.218960753 0.000247416361868721 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 169 -0.107419781343326 3788.50213244 0.00619854421610022 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 171 0.111676250736762 382.563049794 0.000625929165853998 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 173 0.884908337751885 458.223273266 0.0007497203699226 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 176 -0.310670506555032 259.803405295 0.000425076412502183 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 179 0.442667912965062 428.589997766 0.000701235992183494 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 183 0.203058950554087 944.86580463 0.00154593880735342 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 185 0.086056322407198 684.03097247 0.0011191748294745 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 187 0.188752374223928 691.000221263 0.00113057754096475 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 188 0.532318575773762 155.360950946 0.000254193264311013 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 193 0.532333874252887 550.277831083 0.000900335105502736 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 194 0.404771811623703 213.046855456 0.00034857585068709 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 197 -0.376007038146267 9309.2124023 0.0152312345817688 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 199 0.693343211910461 425.048076161 0.00069544088981558 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 201 0.131155119793369 874.082128059 0.00143012634805809 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 211 0.135597286354562 4465.9266051 0.0073069098445358 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 212 -0.168353630773146 322.224400034 0.000527206299823496 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 229 1 611192.241333 1 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 77 0.69477920751872 870.478060227 0.0014242295653631 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 89 0.676653604256223 165.940935375 0.000271503667999917 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 95 0.521609484198171 238.079426778 0.000389532802737732 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 99 0.214978774915306 758.42315006 0.00124089132480787 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 103 -0.175614809818246 205.276515963 0.000335862437512779 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 105 0.987595651529689 30618.35601838 0.0500961137065514 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 109 -0.0331819338939282 119.257135388 0.000195122135595017 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 125 0.221534949124524 125.521258344 0.000205371157968629 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 131 -0.0769400909861422 114.41145277 0.000187193889308003 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 133 0.572601862795851 129.429865364 0.000211766211367009 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 145 0.718567048619817 288.210931778 0.00047155528537047 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 147 0.57814551993529 376.0975962 0.000615350737076991 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 151 0.998571995173738 159431.3573291 0.260853045158726 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 155 0.274165989375019 547.054241654 0.00089506084118621 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 157 0.521741962188308 155.837506292 0.000254972978636183 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 159 0.599002952882604 238.00416661 0.000389409666082994 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 167 0.564592368281745 257.318804747 0.000421011242200641 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 168 -0.146991507106656 151.218960753 0.000247416361868721 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 169 -0.107419781343326 3788.50213244 0.00619854421610022 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 171 0.111676250736762 382.563049794 0.000625929165853998 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 173 0.884908337751885 458.223273266 0.0007497203699226 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 176 -0.310670506555032 259.803405295 0.000425076412502183 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 179 0.442667912965062 428.589997766 0.000701235992183494 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 183 0.203058950554087 944.86580463 0.00154593880735342 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 185 0.086056322407198 684.03097247 0.0011191748294745 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 187 0.188752374223928 691.000221263 0.00113057754096475 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 188 0.532318575773762 155.360950946 0.000254193264311013 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 193 0.532333874252887 550.277831083 0.000900335105502736 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 194 0.404771811623703 213.046855456 0.00034857585068709 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 197 -0.376007038146267 9309.2124023 0.0152312345817688 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 199 0.693343211910461 425.048076161 0.00069544088981558 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 201 0.131155119793369 874.082128059 0.00143012634805809 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 211 0.135597286354562 4465.9266051 0.0073069098445358 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 212 -0.168353630773146 322.224400034 0.000527206299823496 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA "3" 229 1 611192.241333 1 TRUE -"Carbendazim" NA NA "3" 160 0.994444263956995 200635.423844 0.331299115613893 TRUE -"Carbendazim" NA NA "3" 174 -0.327599422633271 174354.292947145 0.28790241498823 FALSE -"Carbendazim" NA NA "3" 192 1 605602.0508 1 TRUE -"Carbendazim" NA NA "3" 160 0.994444263956995 200635.423844 0.331299115613893 TRUE -"Carbendazim" NA NA "3" 174 -0.327599422633271 174354.292947145 0.28790241498823 FALSE -"Carbendazim" NA NA "3" 192 1 605602.0508 1 TRUE -"Cefoperazone" NA NA "10" 347 0.226884700924027 55.521286247 0.00372463293062797 TRUE -"Cefoperazone" NA NA "10" 441 0.950924061290588 356.13324352 0.0238911180948661 TRUE -"Cefoperazone" NA NA "10" 524 0.63708852921762 114.893221858 0.00770758580293832 TRUE -"Cefoperazone" NA NA "10" 561 0.111067154638739 72.667052267 0.00487485276622093 TRUE -"Cefoperazone" NA NA "10" 564 -0.75489933245436 748.1662902 0.0501905663652606 FALSE -"Cefoperazone" NA NA "10" 586 0.187524556076074 129.148378375 0.00866388975379182 TRUE -"Cefoperazone" NA NA "10" 614 0.0285742507974875 422.54654697 0.0283464395361093 TRUE -"Cefoperazone" NA NA "10" 628 0.43993219756173 173.41936492 0.011633798873392 TRUE -"Cefoperazone" NA NA "10" 629 0.559404696846334 796.2319794 0.0534150422542233 TRUE -"Cefoperazone" NA NA "10" 646 1 14906.512207 1 TRUE -"Cefoperazone" NA NA "10" 647 0.297300736007047 14057.66561646 0.943055318457299 TRUE -"Cefoperazone" NA NA "10" 347 0.226884700924027 55.521286247 0.00372463293062797 TRUE -"Cefoperazone" NA NA "10" 441 0.950924061290588 356.13324352 0.0238911180948661 TRUE -"Cefoperazone" NA NA "10" 524 0.63708852921762 114.893221858 0.00770758580293832 TRUE -"Cefoperazone" NA NA "10" 561 0.111067154638739 72.667052267 0.00487485276622093 TRUE -"Cefoperazone" NA NA "10" 564 -0.75489933245436 748.1662902 0.0501905663652606 FALSE -"Cefoperazone" NA NA "10" 586 0.187524556076074 129.148378375 0.00866388975379182 TRUE -"Cefoperazone" NA NA "10" 614 0.0285742507974875 422.54654697 0.0283464395361093 TRUE -"Cefoperazone" NA NA "10" 628 0.43993219756173 173.41936492 0.011633798873392 TRUE -"Cefoperazone" NA NA "10" 629 0.559404696846334 796.2319794 0.0534150422542233 TRUE -"Cefoperazone" NA NA "10" 646 1 14906.512207 1 TRUE -"Cefoperazone" NA NA "10" 647 0.297300736007047 14057.66561646 0.943055318457299 TRUE -"Chlorfenvinphos" NA NA "3" 127 0.727473295311465 24137.73558819 0.300644369405397 TRUE -"Chlorfenvinphos" NA NA "3" 155 0.745209586723937 80286.67104569 1 TRUE -"Chlorfenvinphos" NA NA "3" 157 0.017393610004476 139.23782349 0.00173425827321651 TRUE -"Chlorfenvinphos" NA NA "3" 170 0.799420559123311 545.251562146 0.00679130863248403 TRUE -"Chlorfenvinphos" NA NA "3" 171 -0.531295080469301 99.739204413 0.0012422884535372 FALSE -"Chlorfenvinphos" NA NA "3" 173 -0.198218744905989 168.180216313 0.0020947464145984 FALSE -"Chlorfenvinphos" NA NA "3" 181 -0.128976632201229 461.190903668 0.00574430223175579 FALSE -"Chlorfenvinphos" NA NA "3" 185 -0.2544333889353 247.534089571 0.00308312807527082 FALSE -"Chlorfenvinphos" NA NA "3" 203 -0.172388876944166 163.480865011 0.00203621426672387 FALSE -"Chlorfenvinphos" NA NA "3" 205 0.752272235645639 6250.3470306075 0.0778503697961336 TRUE -"Chlorfenvinphos" NA NA "3" 213 0.264335947671665 352.834961408 0.004394689140956 TRUE -"Chlorfenvinphos" NA NA "3" 217 -0.442009813945246 491.887822143 0.00612664363506956 FALSE -"Chlorfenvinphos" NA NA "3" 227 0.458106805328464 167.324791902 0.00208409178911874 TRUE -"Chlorfenvinphos" NA NA "3" 229 -0.395326148767009 213.640604973 0.00266097226588732 FALSE -"Chlorfenvinphos" NA NA "3" 231 0.234108428261132 159.982762809 0.00199264411795024 TRUE -"Chlorfenvinphos" NA NA "3" 239 -0.171996620639336 142.366676804 0.00177322929135997 FALSE -"Chlorfenvinphos" NA NA "3" 247 -0.232816566716532 148.446807872 0.0018489595587731 FALSE -"Chlorfenvinphos" NA NA "3" 256 0.394955111460252 475.08197783 0.00591732066658534 TRUE -"Chlorfenvinphos" NA NA "3" 257 0.227845777482218 243.51356935 0.00303305101803785 TRUE -"Chlorfenvinphos" NA NA "3" 263 0.313835212054095 156.506553191 0.0019493466493577 TRUE -"Chlorfenvinphos" NA NA "3" 269 0.0471043568125147 652.63590526 0.00812882009877573 TRUE -"Chlorfenvinphos" NA NA "3" 270 0.414268218911412 122.097583527 0.00152077028399292 TRUE -"Chlorfenvinphos" NA NA "3" 271 -0.208600220564307 998.660381296 0.0124386821409954 FALSE -"Chlorfenvinphos" NA NA "3" 277 -0.0965894124411186 2095.40770716 0.0260990732318137 FALSE -"Chlorfenvinphos" NA NA "3" 281 -0.469852594334717 209.236600657 0.00260611877328836 FALSE -"Chlorfenvinphos" NA NA "3" 285 0.0829139920350994 331.69540905 0.00413138824576793 TRUE -"Chlorfenvinphos" NA NA "3" 297 0.377407626252506 235.281828857 0.00293052166433834 TRUE -"Chlorfenvinphos" NA NA "3" 299 0.0684165551844081 4636.7299574 0.0577521760089082 TRUE -"Chlorfenvinphos" NA NA "3" 301 0.755131276527433 309.120713465 0.00385021211415135 TRUE -"Chlorfenvinphos" NA NA "3" 303 0.256144790638075 675.674108275 0.00841576938581104 TRUE -"Chlorfenvinphos" NA NA "3" 313 -0.204360058382281 243.367131218 0.00303122707727542 FALSE -"Chlorfenvinphos" NA NA "3" 315 -0.382059666252692 364.384241579 0.00453853967082075 FALSE -"Chlorfenvinphos" NA NA "3" 317 0.310202941106162 455.98356629 0.00567944293057693 TRUE -"Chlorfenvinphos" NA NA "3" 318 0.415225959687801 228.938733097 0.00285151607502464 TRUE -"Chlorfenvinphos" NA NA "3" 323 -0.314263466258524 563.653416619 0.00702051049417945 FALSE -"Chlorfenvinphos" NA NA "3" 327 -0.140520115757785 2409.41143152 0.0300101050415808 FALSE -"Chlorfenvinphos" NA NA "3" 331 0.71483882497497 12451.37509615 0.155086453753502 TRUE -"Chlorfenvinphos" NA NA "3" 341 -0.150166105415009 1974.064373155 0.0245876974028676 FALSE -"Chlorfenvinphos" NA NA "3" 342 0.842450324350269 114.13835049 0.00142163511082737 TRUE -"Chlorfenvinphos" NA NA "3" 343 -0.147385439331454 393.598319057 0.0049024117444477 FALSE -"Chlorfenvinphos" NA NA "3" 359 1 22584.7152179 0.28130092982741 TRUE -"Chlorfenvinphos" NA NA "3" 360 -0.226912638302916 850.672736164 0.0105954416229301 FALSE -"Chlorfenvinphos" NA NA "3" 127 0.727473295311465 24137.73558819 0.300644369405397 TRUE -"Chlorfenvinphos" NA NA "3" 155 0.745209586723937 80286.67104569 1 TRUE -"Chlorfenvinphos" NA NA "3" 157 0.017393610004476 139.23782349 0.00173425827321651 TRUE -"Chlorfenvinphos" NA NA "3" 170 0.799420559123311 545.251562146 0.00679130863248403 TRUE -"Chlorfenvinphos" NA NA "3" 171 -0.531295080469301 99.739204413 0.0012422884535372 FALSE -"Chlorfenvinphos" NA NA "3" 173 -0.198218744905989 168.180216313 0.0020947464145984 FALSE -"Chlorfenvinphos" NA NA "3" 181 -0.128976632201229 461.190903668 0.00574430223175579 FALSE -"Chlorfenvinphos" NA NA "3" 185 -0.2544333889353 247.534089571 0.00308312807527082 FALSE -"Chlorfenvinphos" NA NA "3" 203 -0.172388876944166 163.480865011 0.00203621426672387 FALSE -"Chlorfenvinphos" NA NA "3" 205 0.752272235645639 6250.3470306075 0.0778503697961336 TRUE -"Chlorfenvinphos" NA NA "3" 213 0.264335947671665 352.834961408 0.004394689140956 TRUE -"Chlorfenvinphos" NA NA "3" 217 -0.442009813945246 491.887822143 0.00612664363506956 FALSE -"Chlorfenvinphos" NA NA "3" 227 0.458106805328464 167.324791902 0.00208409178911874 TRUE -"Chlorfenvinphos" NA NA "3" 229 -0.395326148767009 213.640604973 0.00266097226588732 FALSE -"Chlorfenvinphos" NA NA "3" 231 0.234108428261132 159.982762809 0.00199264411795024 TRUE -"Chlorfenvinphos" NA NA "3" 239 -0.171996620639336 142.366676804 0.00177322929135997 FALSE -"Chlorfenvinphos" NA NA "3" 247 -0.232816566716532 148.446807872 0.0018489595587731 FALSE -"Chlorfenvinphos" NA NA "3" 256 0.394955111460252 475.08197783 0.00591732066658534 TRUE -"Chlorfenvinphos" NA NA "3" 257 0.227845777482218 243.51356935 0.00303305101803785 TRUE -"Chlorfenvinphos" NA NA "3" 263 0.313835212054095 156.506553191 0.0019493466493577 TRUE -"Chlorfenvinphos" NA NA "3" 269 0.0471043568125147 652.63590526 0.00812882009877573 TRUE -"Chlorfenvinphos" NA NA "3" 270 0.414268218911412 122.097583527 0.00152077028399292 TRUE -"Chlorfenvinphos" NA NA "3" 271 -0.208600220564307 998.660381296 0.0124386821409954 FALSE -"Chlorfenvinphos" NA NA "3" 277 -0.0965894124411186 2095.40770716 0.0260990732318137 FALSE -"Chlorfenvinphos" NA NA "3" 281 -0.469852594334717 209.236600657 0.00260611877328836 FALSE -"Chlorfenvinphos" NA NA "3" 285 0.0829139920350994 331.69540905 0.00413138824576793 TRUE -"Chlorfenvinphos" NA NA "3" 297 0.377407626252506 235.281828857 0.00293052166433834 TRUE -"Chlorfenvinphos" NA NA "3" 299 0.0684165551844081 4636.7299574 0.0577521760089082 TRUE -"Chlorfenvinphos" NA NA "3" 301 0.755131276527433 309.120713465 0.00385021211415135 TRUE -"Chlorfenvinphos" NA NA "3" 303 0.256144790638075 675.674108275 0.00841576938581104 TRUE -"Chlorfenvinphos" NA NA "3" 313 -0.204360058382281 243.367131218 0.00303122707727542 FALSE -"Chlorfenvinphos" NA NA "3" 315 -0.382059666252692 364.384241579 0.00453853967082075 FALSE -"Chlorfenvinphos" NA NA "3" 317 0.310202941106162 455.98356629 0.00567944293057693 TRUE -"Chlorfenvinphos" NA NA "3" 318 0.415225959687801 228.938733097 0.00285151607502464 TRUE -"Chlorfenvinphos" NA NA "3" 323 -0.314263466258524 563.653416619 0.00702051049417945 FALSE -"Chlorfenvinphos" NA NA "3" 327 -0.140520115757785 2409.41143152 0.0300101050415808 FALSE -"Chlorfenvinphos" NA NA "3" 331 0.71483882497497 12451.37509615 0.155086453753502 TRUE -"Chlorfenvinphos" NA NA "3" 341 -0.150166105415009 1974.064373155 0.0245876974028676 FALSE -"Chlorfenvinphos" NA NA "3" 342 0.842450324350269 114.13835049 0.00142163511082737 TRUE -"Chlorfenvinphos" NA NA "3" 343 -0.147385439331454 393.598319057 0.0049024117444477 FALSE -"Chlorfenvinphos" NA NA "3" 359 1 22584.7152179 0.28130092982741 TRUE -"Chlorfenvinphos" NA NA "3" 360 -0.226912638302916 850.672736164 0.0105954416229301 FALSE -"Chlorfenvinphos" NA NA "6" 119 0.0731250401711081 66.353376868 0.000891803512611579 TRUE -"Chlorfenvinphos" NA NA "6" 127 0.967444814451871 20710.93127215 0.278359325927056 TRUE -"Chlorfenvinphos" NA NA "6" 155 0.963091521050382 74403.5832217 1 TRUE -"Chlorfenvinphos" NA NA "6" 170 0.449862694478131 251.752763748 0.00338361074624395 TRUE -"Chlorfenvinphos" NA NA "6" 177 0.170534803208042 308.496086376 0.00414625308376313 TRUE -"Chlorfenvinphos" NA NA "6" 181 -0.0163271234849685 354.258750916 0.00476131303865322 FALSE -"Chlorfenvinphos" NA NA "6" 185 0.257029822176199 620.034171576 0.00833339127940232 TRUE -"Chlorfenvinphos" NA NA "6" 187 0.089332028465713 255.646638389 0.00343594525047605 TRUE -"Chlorfenvinphos" NA NA "6" 195 -0.00564478295778355 215.919657704 0.00290200617167355 FALSE -"Chlorfenvinphos" NA NA "6" 205 0.920038935805411 4144.892359716 0.0557082358166203 TRUE -"Chlorfenvinphos" NA NA "6" 215 -0.485598529136673 111.581706056 0.00149968188660377 FALSE -"Chlorfenvinphos" NA NA "6" 217 -0.102544969577153 184.536623947 0.00248021151611929 FALSE -"Chlorfenvinphos" NA NA "6" 227 -0.218545060535632 385.765646933 0.00518477242935378 FALSE -"Chlorfenvinphos" NA NA "6" 257 -0.190658380546032 116.439049717 0.00156496561959989 FALSE -"Chlorfenvinphos" NA NA "6" 263 -0.283711355460578 130.036875959 0.00174772329944822 FALSE -"Chlorfenvinphos" NA NA "6" 269 -0.096686341821556 521.926541329 0.00701480384047927 FALSE -"Chlorfenvinphos" NA NA "6" 271 -0.29431709758827 286.086881162 0.00384506859447277 FALSE -"Chlorfenvinphos" NA NA "6" 277 -0.244117217731705 7365.76094096 0.0989973953137751 FALSE -"Chlorfenvinphos" NA NA "6" 287 -0.285814972272172 1436.521243097 0.0193071513614688 FALSE -"Chlorfenvinphos" NA NA "6" 299 0.0846894086356431 4075.071828875 0.054769833016409 TRUE -"Chlorfenvinphos" NA NA "6" 301 0.659557765349154 184.163766389 0.00247520023115349 TRUE -"Chlorfenvinphos" NA NA "6" 303 0.432503000199826 558.96223402 0.00751257143563184 TRUE -"Chlorfenvinphos" NA NA "6" 315 -0.531353518553151 228.835577496 0.00307559888364704 FALSE -"Chlorfenvinphos" NA NA "6" 317 0.102388860009693 371.096517574 0.00498761620751847 TRUE -"Chlorfenvinphos" NA NA "6" 327 -0.0392538720434494 857.215583061 0.0115211599487992 FALSE -"Chlorfenvinphos" NA NA "6" 331 0.927142862540353 10942.34945269 0.147067506414108 TRUE -"Chlorfenvinphos" NA NA "6" 341 0.27843013514813 681.509114277 0.0091596275981267 TRUE -"Chlorfenvinphos" NA NA "6" 359 1 70775.23458992 0.951234221865785 TRUE -"Chlorfenvinphos" NA NA "6" 360 0.211699399531209 336.06626725 0.0045168021847634 TRUE -"Chlormequat" NA NA "3" 104 0.258848039085982 1344.00603488 0.0035075545862099 TRUE -"Chlormequat" NA NA "3" 122 1 383174.65968 1 TRUE -"Chlormequat" NA NA "3" 104 0.258848039085982 1344.00603488 0.0035075545862099 TRUE -"Chlormequat" NA NA "3" 122 1 383174.65968 1 TRUE -"Chlormequat" NA NA "7" 104 -0.238480528781348 249.84195518 0.00659545474896182 FALSE -"Chlormequat" NA NA "7" 122 1 37880.9293202 1 TRUE -"Desisopropylatrazine" NA NA "1" 79 -0.00233999251843864 530.25218964 0.0010623465213357 TRUE -"Desisopropylatrazine" NA NA "1" 115 0.0134526232413478 19215.13916 0.0384970333785257 TRUE -"Desisopropylatrazine" NA NA "1" 130 0.263395383425939 3994.6477049 0.00800317316208218 TRUE -"Desisopropylatrazine" NA NA "1" 132 -0.0312768712385 7326.0765379 0.0146776045005323 FALSE -"Desisopropylatrazine" NA NA "1" 133 0.249785689081156 9816.328859 0.0196667604950881 TRUE -"Desisopropylatrazine" NA NA "1" 142 -0.064738762712863 4465.0982056 0.0089457085492884 FALSE -"Desisopropylatrazine" NA NA "1" 146 0.267964087777204 1514.5723649 0.00303440648544061 TRUE -"Desisopropylatrazine" NA NA "1" 156 -0.877674937275134 2233.4023818 0.00447456379700939 FALSE -"Desisopropylatrazine" NA NA "1" 159 -0.178626327953242 56937.500976 0.114072807764298 FALSE -"Desisopropylatrazine" NA NA "1" 174 1 499132.98438 1 TRUE -"Desisopropylatrazine" NA NA "1" 79 -0.00233999251843864 530.25218964 0.0010623465213357 TRUE -"Desisopropylatrazine" NA NA "1" 115 0.0134526232413478 19215.13916 0.0384970333785257 TRUE -"Desisopropylatrazine" NA NA "1" 130 0.263395383425939 3994.6477049 0.00800317316208218 TRUE -"Desisopropylatrazine" NA NA "1" 132 -0.0312768712385 7326.0765379 0.0146776045005323 FALSE -"Desisopropylatrazine" NA NA "1" 133 0.249785689081156 9816.328859 0.0196667604950881 TRUE -"Desisopropylatrazine" NA NA "1" 142 -0.064738762712863 4465.0982056 0.0089457085492884 FALSE -"Desisopropylatrazine" NA NA "1" 146 0.267964087777204 1514.5723649 0.00303440648544061 TRUE -"Desisopropylatrazine" NA NA "1" 156 -0.877674937275134 2233.4023818 0.00447456379700939 FALSE -"Desisopropylatrazine" NA NA "1" 159 -0.178626327953242 56937.500976 0.114072807764298 FALSE -"Desisopropylatrazine" NA NA "1" 174 1 499132.98438 1 TRUE -"Dichlorvos" NA NA "8" 77 0.673126587009387 741.86317154 0.00161896017936163 TRUE -"Dichlorvos" NA NA "8" 79 0.878900088282318 1378.256703748 0.00300775507655178 TRUE -"Dichlorvos" NA NA "8" 95 0.23830151975066 167.451852342 0.000365428412276191 TRUE -"Dichlorvos" NA NA "8" 99 0.0952811367061809 779.789044359 0.00170172541184249 TRUE -"Dichlorvos" NA NA "8" 105 0.421334905224525 170.538307904 0.000372163951715189 TRUE -"Dichlorvos" NA NA "8" 107 0.259129043686515 193.227040286 0.000421677333233239 TRUE -"Dichlorvos" NA NA "8" 109 0.967088540122942 63244.728942055 0.138018305315196 TRUE -"Dichlorvos" NA NA "8" 111 0.669971084873578 362.689319128 0.000791493078068717 TRUE -"Dichlorvos" NA NA "8" 117 0.427724412537125 150.021759756 0.000327390904954265 TRUE -"Dichlorvos" NA NA "8" 119 0.352320220252662 842.015996927 0.00183752263450484 TRUE -"Dichlorvos" NA NA "8" 121 0.347913703205373 778.073791986 0.00169798223466916 TRUE -"Dichlorvos" NA NA "8" 123 0.375380270767784 270.12158084 0.000589483478548166 TRUE -"Dichlorvos" NA NA "8" 127 0.948284758535013 7147.09441171 0.0155970287980156 TRUE -"Dichlorvos" NA NA "8" 133 0.111433255667834 852.743870701 0.00186093396036062 TRUE -"Dichlorvos" NA NA "8" 135 0.0748728027193132 220.929068083 0.000482131176490902 TRUE -"Dichlorvos" NA NA "8" 137 0.453769927098964 505.667025571 0.00110351181972854 TRUE -"Dichlorvos" NA NA "8" 139 0.467524552074558 137.935647968 0.000301015510597557 TRUE -"Dichlorvos" NA NA "8" 143 0.278796612798532 266.444155698 0.000581458272424074 TRUE -"Dichlorvos" NA NA "8" 145 0.994170372012309 44316.40897363 0.0967112321692371 TRUE -"Dichlorvos" NA NA "8" 146 0.346301417994264 207.562618724 0.000452961714948885 TRUE -"Dichlorvos" NA NA "8" 147 -0.183799172220307 819.102781302 0.00178751936557185 FALSE -"Dichlorvos" NA NA "8" 149 0.291827272614207 273.867382537 0.000597657902107486 TRUE -"Dichlorvos" NA NA "8" 151 -0.0612144593206886 544.88402842 0.00118909467166422 FALSE -"Dichlorvos" NA NA "8" 153 0.459453598609755 595.225358962 0.00129895402666414 TRUE -"Dichlorvos" NA NA "8" 157 -0.0788899965991259 259.340542296 0.000565956131775221 FALSE -"Dichlorvos" NA NA "8" 159 0.0596826580176188 1143.682675356 0.00249584664700842 TRUE -"Dichlorvos" NA NA "8" 161 0.106726535917086 9549.15720075 0.0208390251026838 TRUE -"Dichlorvos" NA NA "8" 163 0.0347987341572495 754.856181158 0.00164731468729325 TRUE -"Dichlorvos" NA NA "8" 165 -0.380495498071025 1334.653779975 0.00291260087561511 FALSE -"Dichlorvos" NA NA "8" 175 0.149156761794573 7231.4122008 0.015781034620363 TRUE -"Dichlorvos" NA NA "8" 176 -0.107338339253918 284.52136421 0.00062090797401014 FALSE -"Dichlorvos" NA NA "8" 177 0.0961702542234717 389.493910798 0.000849988455926194 TRUE -"Dichlorvos" NA NA "8" 178 0.493220332481887 482.049106835 0.00105197068462459 TRUE -"Dichlorvos" NA NA "8" 179 -0.0861608852458405 2525.723908887 0.00551186066301337 FALSE -"Dichlorvos" NA NA "8" 185 0.0918293472268129 668.89163876 0.00145971517255995 TRUE -"Dichlorvos" NA NA "8" 189 -0.197479261216347 5542.6118852 0.0120955834930694 FALSE -"Dichlorvos" NA NA "8" 191 0.387244221989 1667.67687608 0.00363935366788881 TRUE -"Dichlorvos" NA NA "8" 192 0.819756995871118 124.725039958 0.000272186139988758 TRUE -"Dichlorvos" NA NA "8" 193 -0.217736800465349 3528.26782225 0.00769970167745111 FALSE -"Dichlorvos" NA NA "8" 203 -0.00105621012897679 9102.7295684 0.0198647907863461 TRUE -"Dichlorvos" NA NA "8" 204 0.224749665606753 212.49892521 0.000463734164560272 TRUE -"Dichlorvos" NA NA "8" 206 0.0812819184416861 745.68288134 0.00162729589179507 TRUE -"Dichlorvos" NA NA "8" 219 0.850573767933108 128.129454139 0.000279615557170436 TRUE -"Dichlorvos" NA NA "8" 221 1 458234.353752 1 TRUE -"Dichlorvos" NA NA "8" 222 0.129303934081555 360.408204103 0.000786515024794618 TRUE -"Dichlorvos" NA NA "8" 77 0.673126587009387 741.86317154 0.00161896017936163 TRUE -"Dichlorvos" NA NA "8" 79 0.878900088282318 1378.256703748 0.00300775507655178 TRUE -"Dichlorvos" NA NA "8" 95 0.23830151975066 167.451852342 0.000365428412276191 TRUE -"Dichlorvos" NA NA "8" 99 0.0952811367061809 779.789044359 0.00170172541184249 TRUE -"Dichlorvos" NA NA "8" 105 0.421334905224525 170.538307904 0.000372163951715189 TRUE -"Dichlorvos" NA NA "8" 107 0.259129043686515 193.227040286 0.000421677333233239 TRUE -"Dichlorvos" NA NA "8" 109 0.967088540122942 63244.728942055 0.138018305315196 TRUE -"Dichlorvos" NA NA "8" 111 0.669971084873578 362.689319128 0.000791493078068717 TRUE -"Dichlorvos" NA NA "8" 117 0.427724412537125 150.021759756 0.000327390904954265 TRUE -"Dichlorvos" NA NA "8" 119 0.352320220252662 842.015996927 0.00183752263450484 TRUE -"Dichlorvos" NA NA "8" 121 0.347913703205373 778.073791986 0.00169798223466916 TRUE -"Dichlorvos" NA NA "8" 123 0.375380270767784 270.12158084 0.000589483478548166 TRUE -"Dichlorvos" NA NA "8" 127 0.948284758535013 7147.09441171 0.0155970287980156 TRUE -"Dichlorvos" NA NA "8" 133 0.111433255667834 852.743870701 0.00186093396036062 TRUE -"Dichlorvos" NA NA "8" 135 0.0748728027193132 220.929068083 0.000482131176490902 TRUE -"Dichlorvos" NA NA "8" 137 0.453769927098964 505.667025571 0.00110351181972854 TRUE -"Dichlorvos" NA NA "8" 139 0.467524552074558 137.935647968 0.000301015510597557 TRUE -"Dichlorvos" NA NA "8" 143 0.278796612798532 266.444155698 0.000581458272424074 TRUE -"Dichlorvos" NA NA "8" 145 0.994170372012309 44316.40897363 0.0967112321692371 TRUE -"Dichlorvos" NA NA "8" 146 0.346301417994264 207.562618724 0.000452961714948885 TRUE -"Dichlorvos" NA NA "8" 147 -0.183799172220307 819.102781302 0.00178751936557185 FALSE -"Dichlorvos" NA NA "8" 149 0.291827272614207 273.867382537 0.000597657902107486 TRUE -"Dichlorvos" NA NA "8" 151 -0.0612144593206886 544.88402842 0.00118909467166422 FALSE -"Dichlorvos" NA NA "8" 153 0.459453598609755 595.225358962 0.00129895402666414 TRUE -"Dichlorvos" NA NA "8" 157 -0.0788899965991259 259.340542296 0.000565956131775221 FALSE -"Dichlorvos" NA NA "8" 159 0.0596826580176188 1143.682675356 0.00249584664700842 TRUE -"Dichlorvos" NA NA "8" 161 0.106726535917086 9549.15720075 0.0208390251026838 TRUE -"Dichlorvos" NA NA "8" 163 0.0347987341572495 754.856181158 0.00164731468729325 TRUE -"Dichlorvos" NA NA "8" 165 -0.380495498071025 1334.653779975 0.00291260087561511 FALSE -"Dichlorvos" NA NA "8" 175 0.149156761794573 7231.4122008 0.015781034620363 TRUE -"Dichlorvos" NA NA "8" 176 -0.107338339253918 284.52136421 0.00062090797401014 FALSE -"Dichlorvos" NA NA "8" 177 0.0961702542234717 389.493910798 0.000849988455926194 TRUE -"Dichlorvos" NA NA "8" 178 0.493220332481887 482.049106835 0.00105197068462459 TRUE -"Dichlorvos" NA NA "8" 179 -0.0861608852458405 2525.723908887 0.00551186066301337 FALSE -"Dichlorvos" NA NA "8" 185 0.0918293472268129 668.89163876 0.00145971517255995 TRUE -"Dichlorvos" NA NA "8" 189 -0.197479261216347 5542.6118852 0.0120955834930694 FALSE -"Dichlorvos" NA NA "8" 191 0.387244221989 1667.67687608 0.00363935366788881 TRUE -"Dichlorvos" NA NA "8" 192 0.819756995871118 124.725039958 0.000272186139988758 TRUE -"Dichlorvos" NA NA "8" 193 -0.217736800465349 3528.26782225 0.00769970167745111 FALSE -"Dichlorvos" NA NA "8" 203 -0.00105621012897679 9102.7295684 0.0198647907863461 TRUE -"Dichlorvos" NA NA "8" 204 0.224749665606753 212.49892521 0.000463734164560272 TRUE -"Dichlorvos" NA NA "8" 206 0.0812819184416861 745.68288134 0.00162729589179507 TRUE -"Dichlorvos" NA NA "8" 219 0.850573767933108 128.129454139 0.000279615557170436 TRUE -"Dichlorvos" NA NA "8" 221 1 458234.353752 1 TRUE -"Dichlorvos" NA NA "8" 222 0.129303934081555 360.408204103 0.000786515024794618 TRUE -"Fluopyram" NA NA "2" 130 0.988179415765439 17795.909718935 0.0154226372206749 TRUE -"Fluopyram" NA NA "2" 145 0.928241190042729 3449.545446807 0.00298951213186528 TRUE -"Fluopyram" NA NA "2" 150 0.988115406284376 12058.53886978 0.0104504053648994 TRUE -"Fluopyram" NA NA "2" 152 0.714803770971941 843.962879701 0.000731411516855211 TRUE -"Fluopyram" NA NA "2" 170 0.996118661695746 54335.19384732 0.0470890219301705 TRUE -"Fluopyram" NA NA "2" 172 0.93623116209915 4358.1586747 0.00377695219022824 TRUE -"Fluopyram" NA NA "2" 173 0.996725515129425 33891.795142293 0.0293719663390324 TRUE -"Fluopyram" NA NA "2" 190 0.994751234429169 52936.742621562 0.0458770689439894 TRUE -"Fluopyram" NA NA "2" 208 0.998926992897114 741312.313808205 0.642450487985915 TRUE -"Fluopyram" NA NA "2" 209 0.479662731083597 434.75375842 0.000376774753431255 TRUE -"Fluopyram" NA NA "2" 223 0.919762443227137 180.747808449 0.000156643179369186 TRUE -"Fluopyram" NA NA "2" 233 0.447788622500763 228.889230719 0.000198364434572427 TRUE -"Fluopyram" NA NA "2" 239 0.490523688542752 454.236178877 0.000393658987372342 TRUE -"Fluopyram" NA NA "2" 251 0.399282659683872 207.703212752 0.000180003795840478 TRUE -"Fluopyram" NA NA "2" 253 0.291997563579388 381.209336282 0.000330371045451865 TRUE -"Fluopyram" NA NA "2" 277 0.472534154830253 407.468348983 0.000353128141495666 TRUE -"Fluopyram" NA NA "2" 293 0.439013773646497 230.165272235 0.000199470302476379 TRUE -"Fluopyram" NA NA "2" 295 0.556087836877115 396.002507198 0.000343191390799996 TRUE -"Fluopyram" NA NA "2" 297 0.269891270141561 261.36091041 0.000226505672853008 TRUE -"Fluopyram" NA NA "2" 305 0.13304535194746 151.392195691 0.000131202447588246 TRUE -"Fluopyram" NA NA "2" 307 0.658489317811748 176.850197312 0.000153265355838801 TRUE -"Fluopyram" NA NA "2" 309 0.620367265623824 877.951049335 0.0007608670051297 TRUE -"Fluopyram" NA NA "2" 312 -0.101202655215579 313.370437142 0.000271579179938356 FALSE -"Fluopyram" NA NA "2" 315 -0.0918425876545814 1665.552336677 0.00144343334318478 FALSE -"Fluopyram" NA NA "2" 317 0.747044352703202 276.576972023 0.000239692511957673 TRUE -"Fluopyram" NA NA "2" 319 0.411135022271651 205.162689204 0.000177802077937308 TRUE -"Fluopyram" NA NA "2" 321 0.668663039963109 172.5105753 0.000149504468251542 TRUE -"Fluopyram" NA NA "2" 322 0.457450301072192 363.92931174 0.000315395494671673 TRUE -"Fluopyram" NA NA "2" 323 0.525525654158042 541.443225855 0.000469236053668481 TRUE -"Fluopyram" NA NA "2" 325 -0.375139543472427 284.063552627 0.000246180677974607 FALSE -"Fluopyram" NA NA "2" 335 0.85099649332553 354.179540117 0.000306945958059 TRUE -"Fluopyram" NA NA "2" 337 -0.0800505936255548 6092.33305747 0.00527985610496276 FALSE -"Fluopyram" NA NA "2" 339 0.0817418256376614 1257.39245224 0.001089705889791 TRUE -"Fluopyram" NA NA "2" 351 0.0922108519959764 325.871292118 0.000282412913885544 TRUE -"Fluopyram" NA NA "2" 353 0.73819712073071 219.68107702 0.000190384285413725 TRUE -"Fluopyram" NA NA "2" 355 0.558938657015514 404.386810763 0.0003504575589405 TRUE -"Fluopyram" NA NA "2" 357 0.962259996620823 6087.032030074 0.00527526202555257 TRUE -"Fluopyram" NA NA "2" 361 0.552153478272702 857.635546693 0.000743260789310912 TRUE -"Fluopyram" NA NA "2" 365 -0.00936270431495669 3128.58431621 0.00271135455760717 FALSE -"Fluopyram" NA NA "2" 377 0.95522089194523 6353.409628619 0.00550611535819805 TRUE -"Fluopyram" NA NA "2" 379 0.976200924337964 23757.38885012 0.0205890901523317 TRUE -"Fluopyram" NA NA "2" 380 0.802086185702225 299.634428489 0.000259675013101082 TRUE -"Fluopyram" NA NA "2" 383 0.514484227137365 296.36061955 0.000256837801157807 TRUE -"Fluopyram" NA NA "2" 397 1 1153882.4044359 1 TRUE -"Fluopyram" NA NA "2" 398 0.629183355208795 786.96763037 0.000682017185932154 TRUE -"Fluopyram" NA NA "2" 130 0.988179415765439 17795.909718935 0.0154226372206749 TRUE -"Fluopyram" NA NA "2" 145 0.928241190042729 3449.545446807 0.00298951213186528 TRUE -"Fluopyram" NA NA "2" 150 0.988115406284376 12058.53886978 0.0104504053648994 TRUE -"Fluopyram" NA NA "2" 152 0.714803770971941 843.962879701 0.000731411516855211 TRUE -"Fluopyram" NA NA "2" 170 0.996118661695746 54335.19384732 0.0470890219301705 TRUE -"Fluopyram" NA NA "2" 172 0.93623116209915 4358.1586747 0.00377695219022824 TRUE -"Fluopyram" NA NA "2" 173 0.996725515129425 33891.795142293 0.0293719663390324 TRUE -"Fluopyram" NA NA "2" 190 0.994751234429169 52936.742621562 0.0458770689439894 TRUE -"Fluopyram" NA NA "2" 208 0.998926992897114 741312.313808205 0.642450487985915 TRUE -"Fluopyram" NA NA "2" 209 0.479662731083597 434.75375842 0.000376774753431255 TRUE -"Fluopyram" NA NA "2" 223 0.919762443227137 180.747808449 0.000156643179369186 TRUE -"Fluopyram" NA NA "2" 233 0.447788622500763 228.889230719 0.000198364434572427 TRUE -"Fluopyram" NA NA "2" 239 0.490523688542752 454.236178877 0.000393658987372342 TRUE -"Fluopyram" NA NA "2" 251 0.399282659683872 207.703212752 0.000180003795840478 TRUE -"Fluopyram" NA NA "2" 253 0.291997563579388 381.209336282 0.000330371045451865 TRUE -"Fluopyram" NA NA "2" 277 0.472534154830253 407.468348983 0.000353128141495666 TRUE -"Fluopyram" NA NA "2" 293 0.439013773646497 230.165272235 0.000199470302476379 TRUE -"Fluopyram" NA NA "2" 295 0.556087836877115 396.002507198 0.000343191390799996 TRUE -"Fluopyram" NA NA "2" 297 0.269891270141561 261.36091041 0.000226505672853008 TRUE -"Fluopyram" NA NA "2" 305 0.13304535194746 151.392195691 0.000131202447588246 TRUE -"Fluopyram" NA NA "2" 307 0.658489317811748 176.850197312 0.000153265355838801 TRUE -"Fluopyram" NA NA "2" 309 0.620367265623824 877.951049335 0.0007608670051297 TRUE -"Fluopyram" NA NA "2" 312 -0.101202655215579 313.370437142 0.000271579179938356 FALSE -"Fluopyram" NA NA "2" 315 -0.0918425876545814 1665.552336677 0.00144343334318478 FALSE -"Fluopyram" NA NA "2" 317 0.747044352703202 276.576972023 0.000239692511957673 TRUE -"Fluopyram" NA NA "2" 319 0.411135022271651 205.162689204 0.000177802077937308 TRUE -"Fluopyram" NA NA "2" 321 0.668663039963109 172.5105753 0.000149504468251542 TRUE -"Fluopyram" NA NA "2" 322 0.457450301072192 363.92931174 0.000315395494671673 TRUE -"Fluopyram" NA NA "2" 323 0.525525654158042 541.443225855 0.000469236053668481 TRUE -"Fluopyram" NA NA "2" 325 -0.375139543472427 284.063552627 0.000246180677974607 FALSE -"Fluopyram" NA NA "2" 335 0.85099649332553 354.179540117 0.000306945958059 TRUE -"Fluopyram" NA NA "2" 337 -0.0800505936255548 6092.33305747 0.00527985610496276 FALSE -"Fluopyram" NA NA "2" 339 0.0817418256376614 1257.39245224 0.001089705889791 TRUE -"Fluopyram" NA NA "2" 351 0.0922108519959764 325.871292118 0.000282412913885544 TRUE -"Fluopyram" NA NA "2" 353 0.73819712073071 219.68107702 0.000190384285413725 TRUE -"Fluopyram" NA NA "2" 355 0.558938657015514 404.386810763 0.0003504575589405 TRUE -"Fluopyram" NA NA "2" 357 0.962259996620823 6087.032030074 0.00527526202555257 TRUE -"Fluopyram" NA NA "2" 361 0.552153478272702 857.635546693 0.000743260789310912 TRUE -"Fluopyram" NA NA "2" 365 -0.00936270431495669 3128.58431621 0.00271135455760717 FALSE -"Fluopyram" NA NA "2" 377 0.95522089194523 6353.409628619 0.00550611535819805 TRUE -"Fluopyram" NA NA "2" 379 0.976200924337964 23757.38885012 0.0205890901523317 TRUE -"Fluopyram" NA NA "2" 380 0.802086185702225 299.634428489 0.000259675013101082 TRUE -"Fluopyram" NA NA "2" 383 0.514484227137365 296.36061955 0.000256837801157807 TRUE -"Fluopyram" NA NA "2" 397 1 1153882.4044359 1 TRUE -"Fluopyram" NA NA "2" 398 0.629183355208795 786.96763037 0.000682017185932154 TRUE -"Hydroxy-tebuconazole" NA NA "3" 105 0.933250800122397 148.864868642 0.000349259198550838 TRUE -"Hydroxy-tebuconazole" NA NA "3" 111 -0.136986211620653 819.476129504 0.00192261329911496 FALSE -"Hydroxy-tebuconazole" NA NA "3" 125 0.937808762193969 1183.686924417 0.00277710617910255 TRUE -"Hydroxy-tebuconazole" NA NA "3" 129 0.93947878913899 361.506768723 0.000848148830994743 TRUE -"Hydroxy-tebuconazole" NA NA "3" 130 0.688489556152789 331.007312771 0.000776592555567199 TRUE -"Hydroxy-tebuconazole" NA NA "3" 139 0.773254709339752 1538.894389073 0.00361047590264274 TRUE -"Hydroxy-tebuconazole" NA NA "3" 142 0.570848007480712 609.52418229 0.00143003469754783 TRUE -"Hydroxy-tebuconazole" NA NA "3" 143 0.806393964441417 697.26483626 0.00163588736624957 TRUE -"Hydroxy-tebuconazole" NA NA "3" 144 0.617078750669289 821.504440261 0.00192737201885766 TRUE -"Hydroxy-tebuconazole" NA NA "3" 151 0.969913176100367 8918.60934376 0.020924388541131 TRUE -"Hydroxy-tebuconazole" NA NA "3" 163 0.943479253411026 4190.003754782 0.00983037412836093 TRUE -"Hydroxy-tebuconazole" NA NA "3" 165 0.974027692942281 11141.070391724 0.0261386138415883 TRUE -"Hydroxy-tebuconazole" NA NA "3" 177 0.976181868104272 5276.840125508 0.0123802544544473 TRUE -"Hydroxy-tebuconazole" NA NA "3" 179 0.985734009124796 18898.49200271 0.0443386826650093 TRUE -"Hydroxy-tebuconazole" NA NA "3" 181 0.815011717512525 2102.659529777 0.00493315305951243 TRUE -"Hydroxy-tebuconazole" NA NA "3" 183 0.629817289150805 328.86962314 0.000771577216662296 TRUE -"Hydroxy-tebuconazole" NA NA "3" 191 0.627994719460226 789.382863066 0.00185201000490732 TRUE -"Hydroxy-tebuconazole" NA NA "3" 193 0.834581905027916 786.770006146 0.00184587985262806 TRUE -"Hydroxy-tebuconazole" NA NA "3" 207 0.912806973260801 1817.33848199 0.00426374729985384 TRUE -"Hydroxy-tebuconazole" NA NA "3" 213 0.533276651096227 209.824030864 0.000492278490719679 TRUE -"Hydroxy-tebuconazole" NA NA "3" 219 0.973387546070147 5785.704654759 0.0135741265834354 TRUE -"Hydroxy-tebuconazole" NA NA "3" 225 0.158710766132164 598.46658039 0.00140409191324474 TRUE -"Hydroxy-tebuconazole" NA NA "3" 234 0.533892369953371 498.037124195 0.00116846942083577 TRUE -"Hydroxy-tebuconazole" NA NA "3" 236 0.757916887845443 401.455109619 0.000941873600660352 TRUE -"Hydroxy-tebuconazole" NA NA "3" 237 0.819617372910582 1804.698136231 0.00423409116224753 TRUE -"Hydroxy-tebuconazole" NA NA "3" 242 0.0281666681525705 492.2943644595 0.00115499604944205 TRUE -"Hydroxy-tebuconazole" NA NA "3" 249 0.148844380563395 668.821608301 0.00156915530856678 TRUE -"Hydroxy-tebuconazole" NA NA "3" 251 -0.0957358039667109 294.37336396 0.000690643844375629 FALSE -"Hydroxy-tebuconazole" NA NA "3" 252 0.571270701114537 262.84086132 0.000616663887245291 TRUE -"Hydroxy-tebuconazole" NA NA "3" 261 0.307249106849353 301.249457372 0.000706776185714076 TRUE -"Hydroxy-tebuconazole" NA NA "3" 262 -0.0664296147654578 356.3203392 0.000835980693306733 FALSE -"Hydroxy-tebuconazole" NA NA "3" 264 -0.234448577231542 1060.76663015 0.00248871682402531 FALSE -"Hydroxy-tebuconazole" NA NA "3" 266 0.442854013871549 224.958957681 0.000527787287781417 TRUE -"Hydroxy-tebuconazole" NA NA "3" 268 0.333877814717464 167.482578998 0.00039293912556858 TRUE -"Hydroxy-tebuconazole" NA NA "3" 276 0.814390714374443 472.387895585 0.00110829250260451 TRUE -"Hydroxy-tebuconazole" NA NA "3" 278 0.275231308762053 379.986748698 0.000891505621983662 TRUE -"Hydroxy-tebuconazole" NA NA "3" 280 0.650641022624376 416.402436187 0.000976942259540319 TRUE -"Hydroxy-tebuconazole" NA NA "3" 282 0.782140125615591 155.801819332 0.000365534320145864 TRUE -"Hydroxy-tebuconazole" NA NA "3" 288 0.702501554923525 901.789572159 0.00211573292011017 TRUE -"Hydroxy-tebuconazole" NA NA "3" 292 -0.282700274468723 1574.001168335 0.00369284164615631 FALSE -"Hydroxy-tebuconazole" NA NA "3" 296 -0.00403563274731662 354.472442154 0.000831645251055126 TRUE -"Hydroxy-tebuconazole" NA NA "3" 306 0.939487898745732 6832.34144213 0.0160296926875516 TRUE -"Hydroxy-tebuconazole" NA NA "3" 307 0.647420935806109 170.978830823 0.000401141854133558 TRUE -"Hydroxy-tebuconazole" NA NA "3" 324 1 426230.3448547 1 TRUE -"Hydroxy-tebuconazole" NA NA "3" 325 0.526687588803207 740.769098256 0.0017379548575044 TRUE -"Hydroxy-tebuconazole" NA NA "3" 105 0.933250800122397 148.864868642 0.000349259198550838 TRUE -"Hydroxy-tebuconazole" NA NA "3" 111 -0.136986211620653 819.476129504 0.00192261329911496 FALSE -"Hydroxy-tebuconazole" NA NA "3" 125 0.937808762193969 1183.686924417 0.00277710617910255 TRUE -"Hydroxy-tebuconazole" NA NA "3" 129 0.93947878913899 361.506768723 0.000848148830994743 TRUE -"Hydroxy-tebuconazole" NA NA "3" 130 0.688489556152789 331.007312771 0.000776592555567199 TRUE -"Hydroxy-tebuconazole" NA NA "3" 139 0.773254709339752 1538.894389073 0.00361047590264274 TRUE -"Hydroxy-tebuconazole" NA NA "3" 142 0.570848007480712 609.52418229 0.00143003469754783 TRUE -"Hydroxy-tebuconazole" NA NA "3" 143 0.806393964441417 697.26483626 0.00163588736624957 TRUE -"Hydroxy-tebuconazole" NA NA "3" 144 0.617078750669289 821.504440261 0.00192737201885766 TRUE -"Hydroxy-tebuconazole" NA NA "3" 151 0.969913176100367 8918.60934376 0.020924388541131 TRUE -"Hydroxy-tebuconazole" NA NA "3" 163 0.943479253411026 4190.003754782 0.00983037412836093 TRUE -"Hydroxy-tebuconazole" NA NA "3" 165 0.974027692942281 11141.070391724 0.0261386138415883 TRUE -"Hydroxy-tebuconazole" NA NA "3" 177 0.976181868104272 5276.840125508 0.0123802544544473 TRUE -"Hydroxy-tebuconazole" NA NA "3" 179 0.985734009124796 18898.49200271 0.0443386826650093 TRUE -"Hydroxy-tebuconazole" NA NA "3" 181 0.815011717512525 2102.659529777 0.00493315305951243 TRUE -"Hydroxy-tebuconazole" NA NA "3" 183 0.629817289150805 328.86962314 0.000771577216662296 TRUE -"Hydroxy-tebuconazole" NA NA "3" 191 0.627994719460226 789.382863066 0.00185201000490732 TRUE -"Hydroxy-tebuconazole" NA NA "3" 193 0.834581905027916 786.770006146 0.00184587985262806 TRUE -"Hydroxy-tebuconazole" NA NA "3" 207 0.912806973260801 1817.33848199 0.00426374729985384 TRUE -"Hydroxy-tebuconazole" NA NA "3" 213 0.533276651096227 209.824030864 0.000492278490719679 TRUE -"Hydroxy-tebuconazole" NA NA "3" 219 0.973387546070147 5785.704654759 0.0135741265834354 TRUE -"Hydroxy-tebuconazole" NA NA "3" 225 0.158710766132164 598.46658039 0.00140409191324474 TRUE -"Hydroxy-tebuconazole" NA NA "3" 234 0.533892369953371 498.037124195 0.00116846942083577 TRUE -"Hydroxy-tebuconazole" NA NA "3" 236 0.757916887845443 401.455109619 0.000941873600660352 TRUE -"Hydroxy-tebuconazole" NA NA "3" 237 0.819617372910582 1804.698136231 0.00423409116224753 TRUE -"Hydroxy-tebuconazole" NA NA "3" 242 0.0281666681525705 492.2943644595 0.00115499604944205 TRUE -"Hydroxy-tebuconazole" NA NA "3" 249 0.148844380563395 668.821608301 0.00156915530856678 TRUE -"Hydroxy-tebuconazole" NA NA "3" 251 -0.0957358039667109 294.37336396 0.000690643844375629 FALSE -"Hydroxy-tebuconazole" NA NA "3" 252 0.571270701114537 262.84086132 0.000616663887245291 TRUE -"Hydroxy-tebuconazole" NA NA "3" 261 0.307249106849353 301.249457372 0.000706776185714076 TRUE -"Hydroxy-tebuconazole" NA NA "3" 262 -0.0664296147654578 356.3203392 0.000835980693306733 FALSE -"Hydroxy-tebuconazole" NA NA "3" 264 -0.234448577231542 1060.76663015 0.00248871682402531 FALSE -"Hydroxy-tebuconazole" NA NA "3" 266 0.442854013871549 224.958957681 0.000527787287781417 TRUE -"Hydroxy-tebuconazole" NA NA "3" 268 0.333877814717464 167.482578998 0.00039293912556858 TRUE -"Hydroxy-tebuconazole" NA NA "3" 276 0.814390714374443 472.387895585 0.00110829250260451 TRUE -"Hydroxy-tebuconazole" NA NA "3" 278 0.275231308762053 379.986748698 0.000891505621983662 TRUE -"Hydroxy-tebuconazole" NA NA "3" 280 0.650641022624376 416.402436187 0.000976942259540319 TRUE -"Hydroxy-tebuconazole" NA NA "3" 282 0.782140125615591 155.801819332 0.000365534320145864 TRUE -"Hydroxy-tebuconazole" NA NA "3" 288 0.702501554923525 901.789572159 0.00211573292011017 TRUE -"Hydroxy-tebuconazole" NA NA "3" 292 -0.282700274468723 1574.001168335 0.00369284164615631 FALSE -"Hydroxy-tebuconazole" NA NA "3" 296 -0.00403563274731662 354.472442154 0.000831645251055126 TRUE -"Hydroxy-tebuconazole" NA NA "3" 306 0.939487898745732 6832.34144213 0.0160296926875516 TRUE -"Hydroxy-tebuconazole" NA NA "3" 307 0.647420935806109 170.978830823 0.000401141854133558 TRUE -"Hydroxy-tebuconazole" NA NA "3" 324 1 426230.3448547 1 TRUE -"Hydroxy-tebuconazole" NA NA "3" 325 0.526687588803207 740.769098256 0.0017379548575044 TRUE -"Isoproturon" NA NA "2" 72 0.993086605464471 59907.1442268 0.115787147683237 TRUE -"Isoproturon" NA NA "2" 120 0.927282017838371 790.062006494 0.00152701363761405 TRUE -"Isoproturon" NA NA "2" 134 0.71269989274101 432.2311039 0.000835406315999436 TRUE -"Isoproturon" NA NA "2" 137 0.213034502535958 770.65881154 0.00148951158959186 TRUE -"Isoproturon" NA NA "2" 147 -0.543816345969317 1151.6802063 0.00222594095999428 FALSE -"Isoproturon" NA NA "2" 149 0.500520723996853 390.29506684 0.000754353310068573 TRUE -"Isoproturon" NA NA "2" 161 0.400505614578046 614.84665681 0.00118836144792821 TRUE -"Isoproturon" NA NA "2" 162 0.804730923860733 2048.22309885 0.00395875840011529 TRUE -"Isoproturon" NA NA "2" 165 0.985177338187729 41795.7801207 0.0807819205510825 TRUE -"Isoproturon" NA NA "2" 174 -0.672244697055266 2538.22496785 0.00490582271945875 FALSE -"Isoproturon" NA NA "2" 175 -0.891117335203028 41310.6113296 0.0798441974933163 FALSE -"Isoproturon" NA NA "2" 179 0.106337033555785 305.46005153 0.000590386147667693 TRUE -"Isoproturon" NA NA "2" 189 -0.557815616548336 2256.78026215 0.00436185287873026 FALSE -"Isoproturon" NA NA "2" 193 -0.457037805653279 900.73918538 0.00174092793819098 FALSE -"Isoproturon" NA NA "2" 207 1 517390.275393 1 TRUE -"Isoproturon" NA NA "2" 72 0.993086605464471 59907.1442268 0.115787147683237 TRUE -"Isoproturon" NA NA "2" 120 0.927282017838371 790.062006494 0.00152701363761405 TRUE -"Isoproturon" NA NA "2" 134 0.71269989274101 432.2311039 0.000835406315999436 TRUE -"Isoproturon" NA NA "2" 137 0.213034502535958 770.65881154 0.00148951158959186 TRUE -"Isoproturon" NA NA "2" 147 -0.543816345969317 1151.6802063 0.00222594095999428 FALSE -"Isoproturon" NA NA "2" 149 0.500520723996853 390.29506684 0.000754353310068573 TRUE -"Isoproturon" NA NA "2" 161 0.400505614578046 614.84665681 0.00118836144792821 TRUE -"Isoproturon" NA NA "2" 162 0.804730923860733 2048.22309885 0.00395875840011529 TRUE -"Isoproturon" NA NA "2" 165 0.985177338187729 41795.7801207 0.0807819205510825 TRUE -"Isoproturon" NA NA "2" 174 -0.672244697055266 2538.22496785 0.00490582271945875 FALSE -"Isoproturon" NA NA "2" 175 -0.891117335203028 41310.6113296 0.0798441974933163 FALSE -"Isoproturon" NA NA "2" 179 0.106337033555785 305.46005153 0.000590386147667693 TRUE -"Isoproturon" NA NA "2" 189 -0.557815616548336 2256.78026215 0.00436185287873026 FALSE -"Isoproturon" NA NA "2" 193 -0.457037805653279 900.73918538 0.00174092793819098 FALSE -"Isoproturon" NA NA "2" 207 1 517390.275393 1 TRUE -"Malathion dicarboxilic acid" NA NA "5" 99 0.0390122357382497 146.313006405 0.00728513388971739 TRUE -"Malathion dicarboxilic acid" NA NA "5" 101 -0.00307888841729598 435.762945656 0.0216972604232751 TRUE -"Malathion dicarboxilic acid" NA NA "5" 105 0.592401757892981 89.451040273 0.00445389525494049 TRUE -"Malathion dicarboxilic acid" NA NA "5" 111 0.238541386362055 129.625732421 0.00645425064690212 TRUE -"Malathion dicarboxilic acid" NA NA "5" 113 -0.181700362244182 214.697242755 0.0106900828412605 FALSE -"Malathion dicarboxilic acid" NA NA "5" 115 -0.231992590984375 169.733005041 0.00845124912412097 FALSE -"Malathion dicarboxilic acid" NA NA "5" 125 -0.250900317999769 976.859200016 0.0486392169662613 FALSE -"Malathion dicarboxilic acid" NA NA "5" 127 -0.120496404762161 251.457530026 0.0125204301300888 FALSE -"Malathion dicarboxilic acid" NA NA "5" 133 -0.00480587756063445 106.381536014 0.00529688885696561 TRUE -"Malathion dicarboxilic acid" NA NA "5" 135 -0.090209154235706 265.367501262 0.0132130274961485 FALSE -"Malathion dicarboxilic acid" NA NA "5" 143 -0.131857430656449 2027.15360119 0.100934877647263 FALSE -"Malathion dicarboxilic acid" NA NA "5" 145 -0.00327881805976476 340.208190446 0.0169394524702548 TRUE -"Malathion dicarboxilic acid" NA NA "5" 155 -0.103996527690727 89.39838505 0.00445127347606401 FALSE -"Malathion dicarboxilic acid" NA NA "5" 157 0.0930278278084389 283.279369826 0.014104885054885 TRUE -"Malathion dicarboxilic acid" NA NA "5" 159 -0.0612368257690917 11570.4075283 0.576107142306516 FALSE -"Malathion dicarboxilic acid" NA NA "5" 171 -0.19710660695736 343.725625045 0.0171145905706306 FALSE -"Malathion dicarboxilic acid" NA NA "5" 173 0.0378284550947032 276.705667733 0.0137775710239911 TRUE -"Malathion dicarboxilic acid" NA NA "5" 174 -0.540544488822746 145.849533325 0.00726205690206577 FALSE -"Malathion dicarboxilic acid" NA NA "5" 175 0.184070758387235 1172.409335654 0.0583759379542223 TRUE -"Malathion dicarboxilic acid" NA NA "5" 177 -0.140789116062933 180.05658699 0.00896527503724966 FALSE -"Malathion dicarboxilic acid" NA NA "5" 183 -0.260101643573225 92.657263754 0.00461353770856342 FALSE -"Malathion dicarboxilic acid" NA NA "5" 185 0.435155306012117 212.018755439 0.0105567171262197 TRUE -"Malathion dicarboxilic acid" NA NA "5" 187 -0.0466843753550633 941.066299451 0.0468570372453718 FALSE -"Malathion dicarboxilic acid" NA NA "5" 189 -0.395771460619492 146.580297463 0.00729844269385517 FALSE -"Malathion dicarboxilic acid" NA NA "5" 190 -0.103737669048405 148.989129555 0.0074183818895511 FALSE -"Malathion dicarboxilic acid" NA NA "5" 193 -0.153009009646862 1596.369196382 0.0794855058946147 FALSE -"Malathion dicarboxilic acid" NA NA "5" 197 -0.244011968974358 179.884572989 0.00895671021407378 FALSE -"Malathion dicarboxilic acid" NA NA "5" 199 0.150914124088504 276.667024113 0.0137756469028716 TRUE -"Malathion dicarboxilic acid" NA NA "5" 201 -0.10556131251179 239.864170096 0.0119431801548682 FALSE -"Malathion dicarboxilic acid" NA NA "5" 203 -0.0442733202671276 1407.858670707 0.0700992971568763 FALSE -"Malathion dicarboxilic acid" NA NA "5" 205 -0.206299059029665 130.40357304 0.00649298044402344 FALSE -"Malathion dicarboxilic acid" NA NA "5" 213 0.034041946036616 282.143243319 0.0140483156908721 TRUE -"Malathion dicarboxilic acid" NA NA "5" 215 -0.0174569064315414 4632.372268515 0.23065244185969 FALSE -"Malathion dicarboxilic acid" NA NA "5" 216 0.11460473836849 152.968408575 0.00761651588431708 TRUE -"Malathion dicarboxilic acid" NA NA "5" 217 -0.0749466491463488 149.235903278 0.00743066910622917 FALSE -"Malathion dicarboxilic acid" NA NA "5" 219 -0.229702200918307 275.246332175 0.0137049086189782 FALSE -"Malathion dicarboxilic acid" NA NA "5" 229 -0.0736331507746074 508.844859597 0.0253361134621037 FALSE -"Malathion dicarboxilic acid" NA NA "5" 231 -0.398924747325029 548.515546309 0.027311373702427 FALSE -"Malathion dicarboxilic acid" NA NA "5" 233 -0.0593443075085707 5883.46527449 0.292946152316215 FALSE -"Malathion dicarboxilic acid" NA NA "5" 239 -0.250539714331339 289.00519777 0.0143899822190159 FALSE -"Malathion dicarboxilic acid" NA NA "5" 243 -0.0531886469417714 3332.41069708 0.165925495622409 FALSE -"Malathion dicarboxilic acid" NA NA "5" 245 -0.230543139716182 369.79291249 0.0184125181017819 FALSE -"Malathion dicarboxilic acid" NA NA "5" 247 -0.0791167715438849 453.035788533 0.0225572999789294 FALSE -"Malathion dicarboxilic acid" NA NA "5" 257 0.106470337603423 20083.7772675 1 TRUE -"Malathion dicarboxilic acid" NA NA "5" 261 0.355868386838636 138.486630433 0.00689544743443765 TRUE -"Malathion dicarboxilic acid" NA NA "5" 275 1 7538.973325 0.375376266356017 TRUE -"Malathion dicarboxilic acid" NA NA "5" 99 0.0390122357382497 146.313006405 0.00728513388971739 TRUE -"Malathion dicarboxilic acid" NA NA "5" 101 -0.00307888841729598 435.762945656 0.0216972604232751 TRUE -"Malathion dicarboxilic acid" NA NA "5" 105 0.592401757892981 89.451040273 0.00445389525494049 TRUE -"Malathion dicarboxilic acid" NA NA "5" 111 0.238541386362055 129.625732421 0.00645425064690212 TRUE -"Malathion dicarboxilic acid" NA NA "5" 113 -0.181700362244182 214.697242755 0.0106900828412605 FALSE -"Malathion dicarboxilic acid" NA NA "5" 115 -0.231992590984375 169.733005041 0.00845124912412097 FALSE -"Malathion dicarboxilic acid" NA NA "5" 125 -0.250900317999769 976.859200016 0.0486392169662613 FALSE -"Malathion dicarboxilic acid" NA NA "5" 127 -0.120496404762161 251.457530026 0.0125204301300888 FALSE -"Malathion dicarboxilic acid" NA NA "5" 133 -0.00480587756063445 106.381536014 0.00529688885696561 TRUE -"Malathion dicarboxilic acid" NA NA "5" 135 -0.090209154235706 265.367501262 0.0132130274961485 FALSE -"Malathion dicarboxilic acid" NA NA "5" 143 -0.131857430656449 2027.15360119 0.100934877647263 FALSE -"Malathion dicarboxilic acid" NA NA "5" 145 -0.00327881805976476 340.208190446 0.0169394524702548 TRUE -"Malathion dicarboxilic acid" NA NA "5" 155 -0.103996527690727 89.39838505 0.00445127347606401 FALSE -"Malathion dicarboxilic acid" NA NA "5" 157 0.0930278278084389 283.279369826 0.014104885054885 TRUE -"Malathion dicarboxilic acid" NA NA "5" 159 -0.0612368257690917 11570.4075283 0.576107142306516 FALSE -"Malathion dicarboxilic acid" NA NA "5" 171 -0.19710660695736 343.725625045 0.0171145905706306 FALSE -"Malathion dicarboxilic acid" NA NA "5" 173 0.0378284550947032 276.705667733 0.0137775710239911 TRUE -"Malathion dicarboxilic acid" NA NA "5" 174 -0.540544488822746 145.849533325 0.00726205690206577 FALSE -"Malathion dicarboxilic acid" NA NA "5" 175 0.184070758387235 1172.409335654 0.0583759379542223 TRUE -"Malathion dicarboxilic acid" NA NA "5" 177 -0.140789116062933 180.05658699 0.00896527503724966 FALSE -"Malathion dicarboxilic acid" NA NA "5" 183 -0.260101643573225 92.657263754 0.00461353770856342 FALSE -"Malathion dicarboxilic acid" NA NA "5" 185 0.435155306012117 212.018755439 0.0105567171262197 TRUE -"Malathion dicarboxilic acid" NA NA "5" 187 -0.0466843753550633 941.066299451 0.0468570372453718 FALSE -"Malathion dicarboxilic acid" NA NA "5" 189 -0.395771460619492 146.580297463 0.00729844269385517 FALSE -"Malathion dicarboxilic acid" NA NA "5" 190 -0.103737669048405 148.989129555 0.0074183818895511 FALSE -"Malathion dicarboxilic acid" NA NA "5" 193 -0.153009009646862 1596.369196382 0.0794855058946147 FALSE -"Malathion dicarboxilic acid" NA NA "5" 197 -0.244011968974358 179.884572989 0.00895671021407378 FALSE -"Malathion dicarboxilic acid" NA NA "5" 199 0.150914124088504 276.667024113 0.0137756469028716 TRUE -"Malathion dicarboxilic acid" NA NA "5" 201 -0.10556131251179 239.864170096 0.0119431801548682 FALSE -"Malathion dicarboxilic acid" NA NA "5" 203 -0.0442733202671276 1407.858670707 0.0700992971568763 FALSE -"Malathion dicarboxilic acid" NA NA "5" 205 -0.206299059029665 130.40357304 0.00649298044402344 FALSE -"Malathion dicarboxilic acid" NA NA "5" 213 0.034041946036616 282.143243319 0.0140483156908721 TRUE -"Malathion dicarboxilic acid" NA NA "5" 215 -0.0174569064315414 4632.372268515 0.23065244185969 FALSE -"Malathion dicarboxilic acid" NA NA "5" 216 0.11460473836849 152.968408575 0.00761651588431708 TRUE -"Malathion dicarboxilic acid" NA NA "5" 217 -0.0749466491463488 149.235903278 0.00743066910622917 FALSE -"Malathion dicarboxilic acid" NA NA "5" 219 -0.229702200918307 275.246332175 0.0137049086189782 FALSE -"Malathion dicarboxilic acid" NA NA "5" 229 -0.0736331507746074 508.844859597 0.0253361134621037 FALSE -"Malathion dicarboxilic acid" NA NA "5" 231 -0.398924747325029 548.515546309 0.027311373702427 FALSE -"Malathion dicarboxilic acid" NA NA "5" 233 -0.0593443075085707 5883.46527449 0.292946152316215 FALSE -"Malathion dicarboxilic acid" NA NA "5" 239 -0.250539714331339 289.00519777 0.0143899822190159 FALSE -"Malathion dicarboxilic acid" NA NA "5" 243 -0.0531886469417714 3332.41069708 0.165925495622409 FALSE -"Malathion dicarboxilic acid" NA NA "5" 245 -0.230543139716182 369.79291249 0.0184125181017819 FALSE -"Malathion dicarboxilic acid" NA NA "5" 247 -0.0791167715438849 453.035788533 0.0225572999789294 FALSE -"Malathion dicarboxilic acid" NA NA "5" 257 0.106470337603423 20083.7772675 1 TRUE -"Malathion dicarboxilic acid" NA NA "5" 261 0.355868386838636 138.486630433 0.00689544743443765 TRUE -"Malathion dicarboxilic acid" NA NA "5" 275 1 7538.973325 0.375376266356017 TRUE -"Methamidophos" NA NA "10" 94 0.976908842717177 9354.73397623 0.0482149771671354 TRUE -"Methamidophos" NA NA "10" 100 0.513584871583348 164.780854231 0.000849292469942643 TRUE -"Methamidophos" NA NA "10" 110 0.284212959905891 434.336410282 0.0022386013496283 TRUE -"Methamidophos" NA NA "10" 112 0.703154152581651 915.166019881 0.00471683201946947 TRUE -"Methamidophos" NA NA "10" 114 -0.0808744594898649 205.122636803 0.00105721694225077 FALSE -"Methamidophos" NA NA "10" 124 -0.178837358040908 522.942952646 0.00269528589328229 FALSE -"Methamidophos" NA NA "10" 125 0.944616104231969 4800.928386691 0.0247443329904978 TRUE -"Methamidophos" NA NA "10" 142 1 194021.3295923 1 TRUE -"Methamidophos" NA NA "10" 143 0.462998313752461 215.166582594 0.0011089841670817 TRUE -"Methamidophos" NA NA "10" 94 0.976908842717177 9354.73397623 0.0482149771671354 TRUE -"Methamidophos" NA NA "10" 100 0.513584871583348 164.780854231 0.000849292469942643 TRUE -"Methamidophos" NA NA "10" 110 0.284212959905891 434.336410282 0.0022386013496283 TRUE -"Methamidophos" NA NA "10" 112 0.703154152581651 915.166019881 0.00471683201946947 TRUE -"Methamidophos" NA NA "10" 114 -0.0808744594898649 205.122636803 0.00105721694225077 FALSE -"Methamidophos" NA NA "10" 124 -0.178837358040908 522.942952646 0.00269528589328229 FALSE -"Methamidophos" NA NA "10" 125 0.944616104231969 4800.928386691 0.0247443329904978 TRUE -"Methamidophos" NA NA "10" 142 1 194021.3295923 1 TRUE -"Methamidophos" NA NA "10" 143 0.462998313752461 215.166582594 0.0011089841670817 TRUE -"Metolachlor" NA NA "2" 176 0.791796112912307 995.27586705 0.00140948787866654 TRUE -"Metolachlor" NA NA "2" 196 0.390316117761383 165.330739505 0.000234137771263337 TRUE -"Metolachlor" NA NA "2" 212 0.793947617278503 3303.57566825 0.00467845148748308 TRUE -"Metolachlor" NA NA "2" 220 0.784265545338331 134.73387814 0.000190807166506454 TRUE -"Metolachlor" NA NA "2" 222 0.837765555939223 149.329081531 0.000211476573800797 TRUE -"Metolachlor" NA NA "2" 224 0.333881608192525 1240.410666011 0.0017566424106045 TRUE -"Metolachlor" NA NA "2" 238 0.0957538782410419 278.464510935 0.000394355339856714 TRUE -"Metolachlor" NA NA "2" 240 0.702714684679668 309.572997085 0.000438410496425569 TRUE -"Metolachlor" NA NA "2" 241 0.310895385493475 198.540365455 0.000281168515985718 TRUE -"Metolachlor" NA NA "2" 243 0.131240121206885 350.776814924 0.000496762440566436 TRUE -"Metolachlor" NA NA "2" 248 0.61859332075056 330.1702237165 0.000467579837542316 TRUE -"Metolachlor" NA NA "2" 252 0.917041451436126 706125.8788487 1 TRUE -"Metolachlor" NA NA "2" 253 0.855704337813672 610.27153687 0.000864253180842224 TRUE -"Metolachlor" NA NA "2" 256 0.912087870841402 160.856989391 0.000227802144361666 TRUE -"Metolachlor" NA NA "2" 266 -0.228646021214337 2686.12464523 0.00380403087564158 FALSE -"Metolachlor" NA NA "2" 267 -0.172706372060116 90.919785974 0.000128758609048913 FALSE -"Metolachlor" NA NA "2" 284 1 27717.1231987 0.0392523826543382 TRUE -"Metolachlor" NA NA "2" 285 0.516690728602645 786.727229625 0.00111414586717558 TRUE -"Metolachlor" NA NA "2" 176 0.791796112912307 995.27586705 0.00140948787866654 TRUE -"Metolachlor" NA NA "2" 196 0.390316117761383 165.330739505 0.000234137771263337 TRUE -"Metolachlor" NA NA "2" 212 0.793947617278503 3303.57566825 0.00467845148748308 TRUE -"Metolachlor" NA NA "2" 220 0.784265545338331 134.73387814 0.000190807166506454 TRUE -"Metolachlor" NA NA "2" 222 0.837765555939223 149.329081531 0.000211476573800797 TRUE -"Metolachlor" NA NA "2" 224 0.333881608192525 1240.410666011 0.0017566424106045 TRUE -"Metolachlor" NA NA "2" 238 0.0957538782410419 278.464510935 0.000394355339856714 TRUE -"Metolachlor" NA NA "2" 240 0.702714684679668 309.572997085 0.000438410496425569 TRUE -"Metolachlor" NA NA "2" 241 0.310895385493475 198.540365455 0.000281168515985718 TRUE -"Metolachlor" NA NA "2" 243 0.131240121206885 350.776814924 0.000496762440566436 TRUE -"Metolachlor" NA NA "2" 248 0.61859332075056 330.1702237165 0.000467579837542316 TRUE -"Metolachlor" NA NA "2" 252 0.917041451436126 706125.8788487 1 TRUE -"Metolachlor" NA NA "2" 253 0.855704337813672 610.27153687 0.000864253180842224 TRUE -"Metolachlor" NA NA "2" 256 0.912087870841402 160.856989391 0.000227802144361666 TRUE -"Metolachlor" NA NA "2" 266 -0.228646021214337 2686.12464523 0.00380403087564158 FALSE -"Metolachlor" NA NA "2" 267 -0.172706372060116 90.919785974 0.000128758609048913 FALSE -"Metolachlor" NA NA "2" 284 1 27717.1231987 0.0392523826543382 TRUE -"Metolachlor" NA NA "2" 285 0.516690728602645 786.727229625 0.00111414586717558 TRUE -"Metolachlor" NA NA "6" 105 0.147510907385547 67.732931137 0.000302088164521329 TRUE -"Metolachlor" NA NA "6" 212 0.56820247221881 1215.116215726 0.00541940561447594 TRUE -"Metolachlor" NA NA "6" 224 -0.111227845735124 339.173356055 0.00151270962093686 FALSE -"Metolachlor" NA NA "6" 252 0.993045070992658 224215.7723866 1 TRUE -"Metolachlor" NA NA "6" 266 -0.146787460104817 628.791106722 0.00280440176009482 FALSE -"Metolachlor" NA NA "6" 284 1 155026.670419 0.691417328802802 TRUE -"Metolachlor" NA NA "6" 285 0.118321686070868 459.575310689 0.00204970107944318 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 72 0.831213054372806 1933.43451305 0.00181816864864583 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 91 0.822308544953969 1277.57458017 0.00120140921882462 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 100 0.904831380805312 4819.97843154 0.0045326250318924 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 119 0.996276922706082 196757.537712 0.185027413154208 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 159 0.318506076968014 5745.2918091 0.00540277385870641 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 160 -0.60812844929883 81418.296387 0.076564369218524 FALSE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 174 -0.0254778159834255 6464.1887357 0.00607881219604324 FALSE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 178 0.189033868824133 1156.2770652 0.00108734311656538 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 192 1 1063396.68462 1 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 193 0.843516913487705 669.860601479 0.000629925418394897 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 72 0.831213054372806 1933.43451305 0.00181816864864583 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 91 0.822308544953969 1277.57458017 0.00120140921882462 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 100 0.904831380805312 4819.97843154 0.0045326250318924 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 119 0.996276922706082 196757.537712 0.185027413154208 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 159 0.318506076968014 5745.2918091 0.00540277385870641 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 160 -0.60812844929883 81418.296387 0.076564369218524 FALSE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 174 -0.0254778159834255 6464.1887357 0.00607881219604324 FALSE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 178 0.189033868824133 1156.2770652 0.00108734311656538 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 192 1 1063396.68462 1 TRUE -"N,N-diethyl-m-toluamide ou DEET" NA NA "1" 193 0.843516913487705 669.860601479 0.000629925418394897 TRUE -"Nigericin" NA NA "8" 303 0.69388156788724 256.771903521 2.6267948084131e-05 TRUE -"Nigericin" NA NA "8" 345 0.488441108859454 170.187350269 1.74102867959473e-05 TRUE -"Nigericin" NA NA "8" 361 -0.298158261851774 270.481686601 2.76704686296107e-05 FALSE -"Nigericin" NA NA "8" 377 0.921913240362568 212.930380819 2.17829291764015e-05 TRUE -"Nigericin" NA NA "8" 399 -0.00219607480717936 155.459186543 1.59035851871495e-05 TRUE -"Nigericin" NA NA "8" 419 -0.128312924215981 334.087566385 3.41773953030539e-05 FALSE -"Nigericin" NA NA "8" 485 -0.153312907002539 192.458596704 1.96886511228122e-05 FALSE -"Nigericin" NA NA "8" 491 -0.422922944471844 124.569573874 1.27435558739663e-05 FALSE -"Nigericin" NA NA "8" 501 0.330721867433802 1962.279740704 0.000200742611043264 TRUE -"Nigericin" NA NA "8" 502 0.746783956260905 200.27525187 2.04883004975159e-05 TRUE -"Nigericin" NA NA "8" 507 -0.354836880533629 218.69433498 2.23725857805091e-05 FALSE -"Nigericin" NA NA "8" 509 -0.728921794848418 199.1876421 2.03770372456477e-05 FALSE -"Nigericin" NA NA "8" 523 0.0880948030696946 240.14782524 2.45672930699186e-05 TRUE -"Nigericin" NA NA "8" 525 0.117962948439402 576.361316696 5.89621720175225e-05 TRUE -"Nigericin" NA NA "8" 559 0.84810344800213 103.529180519 1.05911086913109e-05 TRUE -"Nigericin" NA NA "8" 567 -0.752351991905382 249.41364288 2.55151927948768e-05 FALSE -"Nigericin" NA NA "8" 568 -0.532840101817629 259.228322029 2.65192414419954e-05 FALSE -"Nigericin" NA NA "8" 573 0.244836394250901 221.88957263 2.26994608612938e-05 TRUE -"Nigericin" NA NA "8" 580 0.992118727855313 194.64446546 1.99122670489084e-05 TRUE -"Nigericin" NA NA "8" 583 -0.188987118257525 7100.821918505 0.000726419125115431 FALSE -"Nigericin" NA NA "8" 589 -0.259152968299446 295.832520469 3.0263876937929e-05 FALSE -"Nigericin" NA NA "8" 597 -0.0565070203738975 733.689611459 7.50569683029789e-05 FALSE -"Nigericin" NA NA "8" 599 0.972283168725802 643.235493679 6.58034478154985e-05 TRUE -"Nigericin" NA NA "8" 605 0.429575707714564 667.355635634 6.82709554671057e-05 TRUE -"Nigericin" NA NA "8" 607 0.386766245051255 160.19072342 1.63876247699032e-05 TRUE -"Nigericin" NA NA "8" 641 -0.367379921280677 128.127842899 1.31075693222306e-05 FALSE -"Nigericin" NA NA "8" 643 -0.327136371457191 200.36151887 2.04971256728809e-05 FALSE -"Nigericin" NA NA "8" 649 0.0943387745709055 318.911627299 3.26248859569277e-05 TRUE -"Nigericin" NA NA "8" 659 -0.44098780723767 191.511249542 1.95917368353539e-05 FALSE -"Nigericin" NA NA "8" 662 0.545210082812083 564.714775576 5.77707225898213e-05 TRUE -"Nigericin" NA NA "8" 663 0.781327728555262 298.1920786 3.05052614104381e-05 TRUE -"Nigericin" NA NA "8" 665 0.175836851592496 7548.058466541 0.000772171741597377 TRUE -"Nigericin" NA NA "8" 666 0.677134729766668 281.057827949 2.87524154004613e-05 TRUE -"Nigericin" NA NA "8" 669 0.492874926182605 356.941339497 3.65153525226741e-05 TRUE -"Nigericin" NA NA "8" 673 0.468263078612871 302.894679066 3.09863407777965e-05 TRUE -"Nigericin" NA NA "8" 686 0.979254974248858 2607.612306107 0.000266760590785424 TRUE -"Nigericin" NA NA "8" 687 0.115882523363508 3219.00846012 0.00032930685154147 TRUE -"Nigericin" NA NA "8" 688 -0.0312413984218769 432.271391383 4.4221670328409e-05 FALSE -"Nigericin" NA NA "8" 689 0.303565798366849 331.674744123 3.39305618721164e-05 TRUE -"Nigericin" NA NA "8" 690 0.917857589616908 218.260694507 2.2328224052159e-05 TRUE -"Nigericin" NA NA "8" 698 0.996559990627632 785.784382825 8.03863004103169e-05 TRUE -"Nigericin" NA NA "8" 701 -0.762539621315271 315.705478664 3.22968946746288e-05 FALSE -"Nigericin" NA NA "8" 703 0.888427798130252 2052.161657913 0.000209937595005967 TRUE -"Nigericin" NA NA "8" 704 0.976064645824982 20306.616162854 0.00207738125478592 TRUE -"Nigericin" NA NA "8" 705 0.460902244572369 318.047350886 3.25364698660871e-05 TRUE -"Nigericin" NA NA "8" 706 -0.0507438235593349 253.04758263 2.58869474120484e-05 FALSE -"Nigericin" NA NA "8" 711 0.582341602837042 280.26337147 2.86711419384535e-05 TRUE -"Nigericin" NA NA "8" 715 0.228528344235473 1563.55045611 0.000159952322060259 TRUE -"Nigericin" NA NA "8" 716 0.996781845725518 2603.190510313 0.000266308237935432 TRUE -"Nigericin" NA NA "8" 717 0.107960596669131 379.933180811 3.88674342174119e-05 TRUE -"Nigericin" NA NA "8" 729 0.999145606196272 21682.60615534 0.002218146008216 TRUE -"Nigericin" NA NA "8" 730 0.955282483269449 859696.24143705 0.0879475360369561 TRUE -"Nigericin" NA NA "8" 731 0.874035041277187 1660.164900783 0.000169836048363826 TRUE -"Nigericin" NA NA "8" 732 -0.745052004293459 456.192295545 4.66687958122979e-05 FALSE -"Nigericin" NA NA "8" 738 -0.369885793196866 289.26318264 2.95918290126186e-05 FALSE -"Nigericin" NA NA "8" 747 1 3244089.5208734 0.331872661868578 TRUE -"Nigericin" NA NA "8" 748 -0.0779329807538978 9775103.20557247 1 FALSE -"Nigericin" NA NA "8" 749 0.660672365160515 19038.053184765 0.00194760636122103 TRUE -"Nigericin" NA NA "8" 303 0.69388156788724 256.771903521 2.6267948084131e-05 TRUE -"Nigericin" NA NA "8" 345 0.488441108859454 170.187350269 1.74102867959473e-05 TRUE -"Nigericin" NA NA "8" 361 -0.298158261851774 270.481686601 2.76704686296107e-05 FALSE -"Nigericin" NA NA "8" 377 0.921913240362568 212.930380819 2.17829291764015e-05 TRUE -"Nigericin" NA NA "8" 399 -0.00219607480717936 155.459186543 1.59035851871495e-05 TRUE -"Nigericin" NA NA "8" 419 -0.128312924215981 334.087566385 3.41773953030539e-05 FALSE -"Nigericin" NA NA "8" 485 -0.153312907002539 192.458596704 1.96886511228122e-05 FALSE -"Nigericin" NA NA "8" 491 -0.422922944471844 124.569573874 1.27435558739663e-05 FALSE -"Nigericin" NA NA "8" 501 0.330721867433802 1962.279740704 0.000200742611043264 TRUE -"Nigericin" NA NA "8" 502 0.746783956260905 200.27525187 2.04883004975159e-05 TRUE -"Nigericin" NA NA "8" 507 -0.354836880533629 218.69433498 2.23725857805091e-05 FALSE -"Nigericin" NA NA "8" 509 -0.728921794848418 199.1876421 2.03770372456477e-05 FALSE -"Nigericin" NA NA "8" 523 0.0880948030696946 240.14782524 2.45672930699186e-05 TRUE -"Nigericin" NA NA "8" 525 0.117962948439402 576.361316696 5.89621720175225e-05 TRUE -"Nigericin" NA NA "8" 559 0.84810344800213 103.529180519 1.05911086913109e-05 TRUE -"Nigericin" NA NA "8" 567 -0.752351991905382 249.41364288 2.55151927948768e-05 FALSE -"Nigericin" NA NA "8" 568 -0.532840101817629 259.228322029 2.65192414419954e-05 FALSE -"Nigericin" NA NA "8" 573 0.244836394250901 221.88957263 2.26994608612938e-05 TRUE -"Nigericin" NA NA "8" 580 0.992118727855313 194.64446546 1.99122670489084e-05 TRUE -"Nigericin" NA NA "8" 583 -0.188987118257525 7100.821918505 0.000726419125115431 FALSE -"Nigericin" NA NA "8" 589 -0.259152968299446 295.832520469 3.0263876937929e-05 FALSE -"Nigericin" NA NA "8" 597 -0.0565070203738975 733.689611459 7.50569683029789e-05 FALSE -"Nigericin" NA NA "8" 599 0.972283168725802 643.235493679 6.58034478154985e-05 TRUE -"Nigericin" NA NA "8" 605 0.429575707714564 667.355635634 6.82709554671057e-05 TRUE -"Nigericin" NA NA "8" 607 0.386766245051255 160.19072342 1.63876247699032e-05 TRUE -"Nigericin" NA NA "8" 641 -0.367379921280677 128.127842899 1.31075693222306e-05 FALSE -"Nigericin" NA NA "8" 643 -0.327136371457191 200.36151887 2.04971256728809e-05 FALSE -"Nigericin" NA NA "8" 649 0.0943387745709055 318.911627299 3.26248859569277e-05 TRUE -"Nigericin" NA NA "8" 659 -0.44098780723767 191.511249542 1.95917368353539e-05 FALSE -"Nigericin" NA NA "8" 662 0.545210082812083 564.714775576 5.77707225898213e-05 TRUE -"Nigericin" NA NA "8" 663 0.781327728555262 298.1920786 3.05052614104381e-05 TRUE -"Nigericin" NA NA "8" 665 0.175836851592496 7548.058466541 0.000772171741597377 TRUE -"Nigericin" NA NA "8" 666 0.677134729766668 281.057827949 2.87524154004613e-05 TRUE -"Nigericin" NA NA "8" 669 0.492874926182605 356.941339497 3.65153525226741e-05 TRUE -"Nigericin" NA NA "8" 673 0.468263078612871 302.894679066 3.09863407777965e-05 TRUE -"Nigericin" NA NA "8" 686 0.979254974248858 2607.612306107 0.000266760590785424 TRUE -"Nigericin" NA NA "8" 687 0.115882523363508 3219.00846012 0.00032930685154147 TRUE -"Nigericin" NA NA "8" 688 -0.0312413984218769 432.271391383 4.4221670328409e-05 FALSE -"Nigericin" NA NA "8" 689 0.303565798366849 331.674744123 3.39305618721164e-05 TRUE -"Nigericin" NA NA "8" 690 0.917857589616908 218.260694507 2.2328224052159e-05 TRUE -"Nigericin" NA NA "8" 698 0.996559990627632 785.784382825 8.03863004103169e-05 TRUE -"Nigericin" NA NA "8" 701 -0.762539621315271 315.705478664 3.22968946746288e-05 FALSE -"Nigericin" NA NA "8" 703 0.888427798130252 2052.161657913 0.000209937595005967 TRUE -"Nigericin" NA NA "8" 704 0.976064645824982 20306.616162854 0.00207738125478592 TRUE -"Nigericin" NA NA "8" 705 0.460902244572369 318.047350886 3.25364698660871e-05 TRUE -"Nigericin" NA NA "8" 706 -0.0507438235593349 253.04758263 2.58869474120484e-05 FALSE -"Nigericin" NA NA "8" 711 0.582341602837042 280.26337147 2.86711419384535e-05 TRUE -"Nigericin" NA NA "8" 715 0.228528344235473 1563.55045611 0.000159952322060259 TRUE -"Nigericin" NA NA "8" 716 0.996781845725518 2603.190510313 0.000266308237935432 TRUE -"Nigericin" NA NA "8" 717 0.107960596669131 379.933180811 3.88674342174119e-05 TRUE -"Nigericin" NA NA "8" 729 0.999145606196272 21682.60615534 0.002218146008216 TRUE -"Nigericin" NA NA "8" 730 0.955282483269449 859696.24143705 0.0879475360369561 TRUE -"Nigericin" NA NA "8" 731 0.874035041277187 1660.164900783 0.000169836048363826 TRUE -"Nigericin" NA NA "8" 732 -0.745052004293459 456.192295545 4.66687958122979e-05 FALSE -"Nigericin" NA NA "8" 738 -0.369885793196866 289.26318264 2.95918290126186e-05 FALSE -"Nigericin" NA NA "8" 747 1 3244089.5208734 0.331872661868578 TRUE -"Nigericin" NA NA "8" 748 -0.0779329807538978 9775103.20557247 1 FALSE -"Nigericin" NA NA "8" 749 0.660672365160515 19038.053184765 0.00194760636122103 TRUE -"Omethoate" NA NA "2" 88 0.837631756199775 429.379247656 0.00784836708858288 TRUE -"Omethoate" NA NA "2" 125 0.548807659284321 307.230954691 0.00561569131846479 TRUE -"Omethoate" NA NA "2" 141 0.233106246919951 2547.8089448 0.0465698796099839 TRUE -"Omethoate" NA NA "2" 154 0.523937302026516 1394.67151636 0.0254923685486383 TRUE -"Omethoate" NA NA "2" 155 0.872926704493106 3686.16078187 0.0673771336681627 TRUE -"Omethoate" NA NA "2" 158 -0.123269295641998 5749.6453247 0.10509433649563 FALSE -"Omethoate" NA NA "2" 172 -0.631790695963711 180.908488267 0.0033067183221149 FALSE -"Omethoate" NA NA "2" 173 0.562650313404861 570.920797354 0.0104355206279798 TRUE -"Omethoate" NA NA "2" 182 0.211300127108905 2353.4972763 0.0430181725530914 TRUE -"Omethoate" NA NA "2" 183 0.989920907401226 54709.3736582 1 TRUE -"Omethoate" NA NA "2" 196 0.964719396165272 12714.1094668 0.232393621360613 TRUE -"Omethoate" NA NA "2" 214 1 20372.4348769 0.37237558236689 TRUE -"Omethoate" NA NA "2" 88 0.837631756199775 429.379247656 0.00784836708858288 TRUE -"Omethoate" NA NA "2" 125 0.548807659284321 307.230954691 0.00561569131846479 TRUE -"Omethoate" NA NA "2" 141 0.233106246919951 2547.8089448 0.0465698796099839 TRUE -"Omethoate" NA NA "2" 154 0.523937302026516 1394.67151636 0.0254923685486383 TRUE -"Omethoate" NA NA "2" 155 0.872926704493106 3686.16078187 0.0673771336681627 TRUE -"Omethoate" NA NA "2" 158 -0.123269295641998 5749.6453247 0.10509433649563 FALSE -"Omethoate" NA NA "2" 172 -0.631790695963711 180.908488267 0.0033067183221149 FALSE -"Omethoate" NA NA "2" 173 0.562650313404861 570.920797354 0.0104355206279798 TRUE -"Omethoate" NA NA "2" 182 0.211300127108905 2353.4972763 0.0430181725530914 TRUE -"Omethoate" NA NA "2" 183 0.989920907401226 54709.3736582 1 TRUE -"Omethoate" NA NA "2" 196 0.964719396165272 12714.1094668 0.232393621360613 TRUE -"Omethoate" NA NA "2" 214 1 20372.4348769 0.37237558236689 TRUE -"Prochloraz" NA NA "1" 202 0.110771379792084 320.311538685 0.00111224181016321 TRUE -"Prochloraz" NA NA "1" 238 0.362075322645066 257.66075992 0.000894694806181419 TRUE -"Prochloraz" NA NA "1" 244 0.116711108766966 894.255809314 0.00310519160247456 TRUE -"Prochloraz" NA NA "1" 245 -0.33165515456703 179.53681564 0.000623419167595921 FALSE -"Prochloraz" NA NA "1" 266 0.187426096999297 6848.746319913 0.0237814161659027 TRUE -"Prochloraz" NA NA "1" 280 0.197004643465757 2133.000283721 0.00740657706676483 TRUE -"Prochloraz" NA NA "1" 291 -0.478570735237658 389.368725297 0.00135203426521318 FALSE -"Prochloraz" NA NA "1" 294 -0.0104641890032387 1008.16582397 0.00350072990064777 FALSE -"Prochloraz" NA NA "1" 303 0.726379019581865 206.674549112 0.000717651557489022 TRUE -"Prochloraz" NA NA "1" 308 0.213578908908872 287987.3205252 1 TRUE -"Prochloraz" NA NA "1" 310 -0.104795573407594 261.194522859 0.000906965356608971 FALSE -"Prochloraz" NA NA "1" 315 -0.719137147882456 338.202372563 0.00117436549618304 FALSE -"Prochloraz" NA NA "1" 316 -0.414325790160877 2865.441486445 0.00994988765900984 FALSE -"Prochloraz" NA NA "1" 318 -0.0146190767976322 199.611021524 0.000693124340196544 FALSE -"Prochloraz" NA NA "1" 330 -0.100952287856643 276.492937091 0.000960087189209449 FALSE -"Prochloraz" NA NA "1" 332 0.0730849767291783 376.843055239 0.00130854044043243 TRUE -"Prochloraz" NA NA "1" 334 0.256923538184557 113.467085369 0.000394000281547365 TRUE -"Prochloraz" NA NA "1" 335 -0.432559277132849 215.835879809 0.000749463134055284 FALSE -"Prochloraz" NA NA "1" 340 0.164051069587271 381.260290641 0.00132387873863925 TRUE -"Prochloraz" NA NA "1" 344 0.0951799660822054 1388.246995462 0.00482051429531782 TRUE -"Prochloraz" NA NA "1" 358 -0.338701570029738 811.082062751 0.00281638115619756 FALSE -"Prochloraz" NA NA "1" 359 0.0947541243923221 228.147804732 0.000792214755552185 TRUE -"Prochloraz" NA NA "1" 376 1 10308.57720772 0.035795246780033 TRUE -"Prochloraz" NA NA "1" 377 -0.0914354549210393 369.333282477 0.00128246369251066 FALSE -"Prochloraz" NA NA "1" 202 0.110771379792084 320.311538685 0.00111224181016321 TRUE -"Prochloraz" NA NA "1" 238 0.362075322645066 257.66075992 0.000894694806181419 TRUE -"Prochloraz" NA NA "1" 244 0.116711108766966 894.255809314 0.00310519160247456 TRUE -"Prochloraz" NA NA "1" 245 -0.33165515456703 179.53681564 0.000623419167595921 FALSE -"Prochloraz" NA NA "1" 266 0.187426096999297 6848.746319913 0.0237814161659027 TRUE -"Prochloraz" NA NA "1" 280 0.197004643465757 2133.000283721 0.00740657706676483 TRUE -"Prochloraz" NA NA "1" 291 -0.478570735237658 389.368725297 0.00135203426521318 FALSE -"Prochloraz" NA NA "1" 294 -0.0104641890032387 1008.16582397 0.00350072990064777 FALSE -"Prochloraz" NA NA "1" 303 0.726379019581865 206.674549112 0.000717651557489022 TRUE -"Prochloraz" NA NA "1" 308 0.213578908908872 287987.3205252 1 TRUE -"Prochloraz" NA NA "1" 310 -0.104795573407594 261.194522859 0.000906965356608971 FALSE -"Prochloraz" NA NA "1" 315 -0.719137147882456 338.202372563 0.00117436549618304 FALSE -"Prochloraz" NA NA "1" 316 -0.414325790160877 2865.441486445 0.00994988765900984 FALSE -"Prochloraz" NA NA "1" 318 -0.0146190767976322 199.611021524 0.000693124340196544 FALSE -"Prochloraz" NA NA "1" 330 -0.100952287856643 276.492937091 0.000960087189209449 FALSE -"Prochloraz" NA NA "1" 332 0.0730849767291783 376.843055239 0.00130854044043243 TRUE -"Prochloraz" NA NA "1" 334 0.256923538184557 113.467085369 0.000394000281547365 TRUE -"Prochloraz" NA NA "1" 335 -0.432559277132849 215.835879809 0.000749463134055284 FALSE -"Prochloraz" NA NA "1" 340 0.164051069587271 381.260290641 0.00132387873863925 TRUE -"Prochloraz" NA NA "1" 344 0.0951799660822054 1388.246995462 0.00482051429531782 TRUE -"Prochloraz" NA NA "1" 358 -0.338701570029738 811.082062751 0.00281638115619756 FALSE -"Prochloraz" NA NA "1" 359 0.0947541243923221 228.147804732 0.000792214755552185 TRUE -"Prochloraz" NA NA "1" 376 1 10308.57720772 0.035795246780033 TRUE -"Prochloraz" NA NA "1" 377 -0.0914354549210393 369.333282477 0.00128246369251066 FALSE -"Prochloraz" NA NA "7" 136 0.944908525655583 143.928166396 0.000949178809656671 TRUE -"Prochloraz" NA NA "7" 202 0.227219474826345 394.165222649 0.00259944447435434 TRUE -"Prochloraz" NA NA "7" 233 -0.160181971496585 190.591785906 0.00125691648137069 FALSE -"Prochloraz" NA NA "7" 234 -0.215390395430049 278.200731283 0.00183468076872653 FALSE -"Prochloraz" NA NA "7" 238 0.171437804200547 205.77438355 0.00135704281744572 TRUE -"Prochloraz" NA NA "7" 244 -0.0722661579933315 872.686310784 0.0057551997945598 FALSE -"Prochloraz" NA NA "7" 266 -0.248405378950945 4327.34904575 0.0285380417125085 FALSE -"Prochloraz" NA NA "7" 280 -0.310554448197158 1298.919650077 0.00856612738265254 FALSE -"Prochloraz" NA NA "7" 293 0.749156351291992 200.444505207 0.00132189328620453 TRUE -"Prochloraz" NA NA "7" 294 0.368691768696427 1575.694126647 0.0103914022735398 TRUE -"Prochloraz" NA NA "7" 304 -0.0471320285371403 809.598223213 0.00533914588820071 FALSE -"Prochloraz" NA NA "7" 308 -0.181127485034532 151634.4074812 1 FALSE -"Prochloraz" NA NA "7" 310 0.972222645802573 105.641312124 0.000696684307201831 TRUE -"Prochloraz" NA NA "7" 315 0.245209450661914 440.677309527 0.00290618281725825 TRUE -"Prochloraz" NA NA "7" 316 0.0468248391732196 2305.138855487 0.0152019511519692 TRUE -"Prochloraz" NA NA "7" 334 -0.117192670406485 201.20180177 0.00132688751261778 FALSE -"Prochloraz" NA NA "7" 344 0.0172168957967989 697.322455414 0.0045987086110417 TRUE -"Prochloraz" NA NA "7" 358 -0.02670740410531 305.289077308 0.00201332324489645 FALSE -"Prochloraz" NA NA "7" 360 0.955423389695647 135.6890707 0.000894843544772799 TRUE -"Prochloraz" NA NA "7" 376 1 375.156909479 0.00247408827396587 TRUE -"p-Toluenesulfonamide" NA NA "5" 113 -0.366092969375946 527.826451544 0.0576739280872289 FALSE -"p-Toluenesulfonamide" NA NA "5" 128 0.382005468968477 236.805536746 0.0258749925415739 TRUE -"p-Toluenesulfonamide" NA NA "5" 129 0.0354255654285688 209.208140355 0.0228595122635519 TRUE -"p-Toluenesulfonamide" NA NA "5" 130 0.343557987221976 354.06029941 0.038687049856979 TRUE -"p-Toluenesulfonamide" NA NA "5" 131 0.504235767820085 318.10253716 0.0347580588257077 TRUE -"p-Toluenesulfonamide" NA NA "5" 140 0.133841907512124 1235.91298662 0.135044305763544 TRUE -"p-Toluenesulfonamide" NA NA "5" 144 -0.125957159650464 305.941217187 0.033429229829895 FALSE -"p-Toluenesulfonamide" NA NA "5" 155 -0.357274519521877 9151.9074398 1 FALSE -"p-Toluenesulfonamide" NA NA "5" 157 -0.0351539509074643 2257.3347168 0.246651829866991 FALSE -"p-Toluenesulfonamide" NA NA "5" 172 1 7086.8286743 0.774355370278403 TRUE -"p-Toluenesulfonamide" NA NA "5" 113 -0.366092969375946 527.826451544 0.0576739280872289 FALSE -"p-Toluenesulfonamide" NA NA "5" 128 0.382005468968477 236.805536746 0.0258749925415739 TRUE -"p-Toluenesulfonamide" NA NA "5" 129 0.0354255654285688 209.208140355 0.0228595122635519 TRUE -"p-Toluenesulfonamide" NA NA "5" 130 0.343557987221976 354.06029941 0.038687049856979 TRUE -"p-Toluenesulfonamide" NA NA "5" 131 0.504235767820085 318.10253716 0.0347580588257077 TRUE -"p-Toluenesulfonamide" NA NA "5" 140 0.133841907512124 1235.91298662 0.135044305763544 TRUE -"p-Toluenesulfonamide" NA NA "5" 144 -0.125957159650464 305.941217187 0.033429229829895 FALSE -"p-Toluenesulfonamide" NA NA "5" 155 -0.357274519521877 9151.9074398 1 FALSE -"p-Toluenesulfonamide" NA NA "5" 157 -0.0351539509074643 2257.3347168 0.246651829866991 FALSE -"p-Toluenesulfonamide" NA NA "5" 172 1 7086.8286743 0.774355370278403 TRUE -"Rifaximin" NA NA "8" 346 0.728429173484556 176.740460381 0.000392943004325989 TRUE -"Rifaximin" NA NA "8" 347 0.551480939860562 845.098484031 0.00187888804041035 TRUE -"Rifaximin" NA NA "8" 348 0.179348753684697 167.926384926 0.00037334687290154 TRUE -"Rifaximin" NA NA "8" 360 0.200163985279701 229.001089096 0.000509132859274702 TRUE -"Rifaximin" NA NA "8" 361 0.700514149024748 256.791428577 0.000570918482461169 TRUE -"Rifaximin" NA NA "8" 362 0.908194936508141 4488.974861598 0.00998023465966812 TRUE -"Rifaximin" NA NA "8" 388 0.63244225649038 458.896043769 0.00102025302934701 TRUE -"Rifaximin" NA NA "8" 456 0.766811495693977 248.79816724 0.000553147248204154 TRUE -"Rifaximin" NA NA "8" 494 0.51297218010457 561.101913887 0.00124748499183791 TRUE -"Rifaximin" NA NA "8" 512 0.562289965734367 950.848405878 0.00211399941167317 TRUE -"Rifaximin" NA NA "8" 570 0.338156532760222 482.596581437 0.00107294589014035 TRUE -"Rifaximin" NA NA "8" 622 0.186144048287016 595.90526104 0.0013248624738328 TRUE -"Rifaximin" NA NA "8" 624 0.823777819004196 345.76896097 0.000768740185656059 TRUE -"Rifaximin" NA NA "8" 640 0.305127871832912 242.34437657 0.000538798683706279 TRUE -"Rifaximin" NA NA "8" 658 0.600134887843284 633.800680162 0.00140911448838505 TRUE -"Rifaximin" NA NA "8" 672 -0.108595525134696 256.3156743 0.000569860748909257 FALSE -"Rifaximin" NA NA "8" 676 0.851831244395334 3521.297128727 0.00782881899200492 TRUE -"Rifaximin" NA NA "8" 677 0.663026015501381 1354.23228747 0.00301083352644092 TRUE -"Rifaximin" NA NA "8" 690 0.538589896436938 329.921241745 0.000733506315660688 TRUE -"Rifaximin" NA NA "8" 691 -0.143300097159239 199.258279815 0.000443006354846814 FALSE -"Rifaximin" NA NA "8" 694 0.976250294569171 13176.79045907 0.029295655444143 TRUE -"Rifaximin" NA NA "8" 695 0.485090629105654 2340.68678512 0.0052039951437745 TRUE -"Rifaximin" NA NA "8" 701 0.396844712081517 259.470815652 0.000576875502176593 TRUE -"Rifaximin" NA NA "8" 703 0.338525737242399 180.17039776 0.00040056870528574 TRUE -"Rifaximin" NA NA "8" 704 0.184179884919558 1021.845474262 0.00227184556240179 TRUE -"Rifaximin" NA NA "8" 708 0.161277644177134 765.49311641 0.00170190325579431 TRUE -"Rifaximin" NA NA "8" 709 0.603627393944018 566.135319689 0.00125867564729714 TRUE -"Rifaximin" NA NA "8" 718 0.886076915189961 1544.86607077 0.00343466523636434 TRUE -"Rifaximin" NA NA "8" 719 0.631861760218661 625.064932854 0.00138969250212996 TRUE -"Rifaximin" NA NA "8" 726 0.436210154679794 780.54448371 0.00173536661485384 TRUE -"Rifaximin" NA NA "8" 727 0.683818622475658 367.037548538 0.000816026147674741 TRUE -"Rifaximin" NA NA "8" 728 0.456657852307783 308.91019535 0.000686792939014015 TRUE -"Rifaximin" NA NA "8" 736 0.963587972826795 20359.23705387 0.0452642239161706 TRUE -"Rifaximin" NA NA "8" 737 0.475488850792648 10027.19182742 0.0222932251795978 TRUE -"Rifaximin" NA NA "8" 750 0.24587454682353 431.02099704 0.000958279078482518 TRUE -"Rifaximin" NA NA "8" 751 0.648035546708184 363.814557991 0.000808860546851238 TRUE -"Rifaximin" NA NA "8" 754 0.985440295816136 182701.2351504 0.406195457900849 TRUE -"Rifaximin" NA NA "8" 755 0.060221206927448 15844.77037246 0.0352273138792795 TRUE -"Rifaximin" NA NA "8" 768 0.894497716561007 4371.18513866 0.00971835547529683 TRUE -"Rifaximin" NA NA "8" 769 0.727989068923473 3834.252394655 0.00852460524348515 TRUE -"Rifaximin" NA NA "8" 786 1 449786.5044936 1 TRUE -"Rifaximin" NA NA "8" 787 0.502031583649476 1585.108786094 0.00352413594062504 TRUE -"Rifaximin" NA NA "8" 346 0.728429173484556 176.740460381 0.000392943004325989 TRUE -"Rifaximin" NA NA "8" 347 0.551480939860562 845.098484031 0.00187888804041035 TRUE -"Rifaximin" NA NA "8" 348 0.179348753684697 167.926384926 0.00037334687290154 TRUE -"Rifaximin" NA NA "8" 360 0.200163985279701 229.001089096 0.000509132859274702 TRUE -"Rifaximin" NA NA "8" 361 0.700514149024748 256.791428577 0.000570918482461169 TRUE -"Rifaximin" NA NA "8" 362 0.908194936508141 4488.974861598 0.00998023465966812 TRUE -"Rifaximin" NA NA "8" 388 0.63244225649038 458.896043769 0.00102025302934701 TRUE -"Rifaximin" NA NA "8" 456 0.766811495693977 248.79816724 0.000553147248204154 TRUE -"Rifaximin" NA NA "8" 494 0.51297218010457 561.101913887 0.00124748499183791 TRUE -"Rifaximin" NA NA "8" 512 0.562289965734367 950.848405878 0.00211399941167317 TRUE -"Rifaximin" NA NA "8" 570 0.338156532760222 482.596581437 0.00107294589014035 TRUE -"Rifaximin" NA NA "8" 622 0.186144048287016 595.90526104 0.0013248624738328 TRUE -"Rifaximin" NA NA "8" 624 0.823777819004196 345.76896097 0.000768740185656059 TRUE -"Rifaximin" NA NA "8" 640 0.305127871832912 242.34437657 0.000538798683706279 TRUE -"Rifaximin" NA NA "8" 658 0.600134887843284 633.800680162 0.00140911448838505 TRUE -"Rifaximin" NA NA "8" 672 -0.108595525134696 256.3156743 0.000569860748909257 FALSE -"Rifaximin" NA NA "8" 676 0.851831244395334 3521.297128727 0.00782881899200492 TRUE -"Rifaximin" NA NA "8" 677 0.663026015501381 1354.23228747 0.00301083352644092 TRUE -"Rifaximin" NA NA "8" 690 0.538589896436938 329.921241745 0.000733506315660688 TRUE -"Rifaximin" NA NA "8" 691 -0.143300097159239 199.258279815 0.000443006354846814 FALSE -"Rifaximin" NA NA "8" 694 0.976250294569171 13176.79045907 0.029295655444143 TRUE -"Rifaximin" NA NA "8" 695 0.485090629105654 2340.68678512 0.0052039951437745 TRUE -"Rifaximin" NA NA "8" 701 0.396844712081517 259.470815652 0.000576875502176593 TRUE -"Rifaximin" NA NA "8" 703 0.338525737242399 180.17039776 0.00040056870528574 TRUE -"Rifaximin" NA NA "8" 704 0.184179884919558 1021.845474262 0.00227184556240179 TRUE -"Rifaximin" NA NA "8" 708 0.161277644177134 765.49311641 0.00170190325579431 TRUE -"Rifaximin" NA NA "8" 709 0.603627393944018 566.135319689 0.00125867564729714 TRUE -"Rifaximin" NA NA "8" 718 0.886076915189961 1544.86607077 0.00343466523636434 TRUE -"Rifaximin" NA NA "8" 719 0.631861760218661 625.064932854 0.00138969250212996 TRUE -"Rifaximin" NA NA "8" 726 0.436210154679794 780.54448371 0.00173536661485384 TRUE -"Rifaximin" NA NA "8" 727 0.683818622475658 367.037548538 0.000816026147674741 TRUE -"Rifaximin" NA NA "8" 728 0.456657852307783 308.91019535 0.000686792939014015 TRUE -"Rifaximin" NA NA "8" 736 0.963587972826795 20359.23705387 0.0452642239161706 TRUE -"Rifaximin" NA NA "8" 737 0.475488850792648 10027.19182742 0.0222932251795978 TRUE -"Rifaximin" NA NA "8" 750 0.24587454682353 431.02099704 0.000958279078482518 TRUE -"Rifaximin" NA NA "8" 751 0.648035546708184 363.814557991 0.000808860546851238 TRUE -"Rifaximin" NA NA "8" 754 0.985440295816136 182701.2351504 0.406195457900849 TRUE -"Rifaximin" NA NA "8" 755 0.060221206927448 15844.77037246 0.0352273138792795 TRUE -"Rifaximin" NA NA "8" 768 0.894497716561007 4371.18513866 0.00971835547529683 TRUE -"Rifaximin" NA NA "8" 769 0.727989068923473 3834.252394655 0.00852460524348515 TRUE -"Rifaximin" NA NA "8" 786 1 449786.5044936 1 TRUE -"Rifaximin" NA NA "8" 787 0.502031583649476 1585.108786094 0.00352413594062504 TRUE -"Spinosad A (Spinosyn A)" NA NA "10" 650 -0.319972463486621 301.336536892 0.000725005400459278 FALSE -"Spinosad A (Spinosyn A)" NA NA "10" 672 -0.0751124332871545 147.356142516 0.000354533838534279 FALSE -"Spinosad A (Spinosyn A)" NA NA "10" 714 0.297354389109674 156.982562536 0.000377694675827935 TRUE -"Spinosad A (Spinosyn A)" NA NA "10" 732 1 391698.27023234 0.94241264002707 TRUE -"Spinosad A (Spinosyn A)" NA NA "10" 733 -0.252914244331709 415633.506593342 1 FALSE -"Spinosad A (Spinosyn A)" NA NA "10" 650 -0.319972463486621 301.336536892 0.000725005400459278 FALSE -"Spinosad A (Spinosyn A)" NA NA "10" 672 -0.0751124332871545 147.356142516 0.000354533838534279 FALSE -"Spinosad A (Spinosyn A)" NA NA "10" 714 0.297354389109674 156.982562536 0.000377694675827935 TRUE -"Spinosad A (Spinosyn A)" NA NA "10" 732 1 391698.27023234 0.94241264002707 TRUE -"Spinosad A (Spinosyn A)" NA NA "10" 733 -0.252914244331709 415633.506593342 1 FALSE -"TCMTB" NA NA "4" 81 0.37122794225711 225.766800173 0.00370523391040966 TRUE -"TCMTB" NA NA "4" 133 0.852030361970682 108.790925507 0.00178545218351194 TRUE -"TCMTB" NA NA "4" 139 -0.433048450364907 146.048198231 0.00239691015784902 FALSE -"TCMTB" NA NA "4" 157 -0.228697268192068 531.528373955 0.00872332404061995 FALSE -"TCMTB" NA NA "4" 167 0.150333851615877 212.684405793 0.00349052859833993 TRUE -"TCMTB" NA NA "4" 179 -0.17837964882576 1037.96452143 0.0170348401078349 FALSE -"TCMTB" NA NA "4" 180 0.789611889046075 20869.9768059 0.342513362068421 TRUE -"TCMTB" NA NA "4" 193 -0.166605827659421 150.142760278 0.00246410918858868 FALSE -"TCMTB" NA NA "4" 195 -0.182545269304725 161.612817282 0.00265235318253724 FALSE -"TCMTB" NA NA "4" 197 -0.242749284253616 110.914985894 0.00182031178451457 FALSE -"TCMTB" NA NA "4" 203 -0.312531258837773 175.738325112 0.00288417783777161 FALSE -"TCMTB" NA NA "4" 206 -0.0611854467140295 132.843214032 0.00218019292926153 FALSE -"TCMTB" NA NA "4" 207 -0.101127912669245 1589.964396964 0.0260941378247854 FALSE -"TCMTB" NA NA "4" 209 -0.156399927520568 1072.447051034 0.0176007596226065 FALSE -"TCMTB" NA NA "4" 211 0.17680025099723 170.462800996 0.0027975971233583 TRUE -"TCMTB" NA NA "4" 212 0.793502338978203 8421.26882924 0.138207968624554 TRUE -"TCMTB" NA NA "4" 221 -0.0518016280736369 625.5821654935 0.010266913698373 FALSE -"TCMTB" NA NA "4" 223 -0.122424017975061 256.69197036 0.00421277084309532 FALSE -"TCMTB" NA NA "4" 225 0.390061336386313 194.082402714 0.00318523671061755 TRUE -"TCMTB" NA NA "4" 239 1 60931.861694 1 TRUE -"TCMTB" NA NA "4" 81 0.37122794225711 225.766800173 0.00370523391040966 TRUE -"TCMTB" NA NA "4" 133 0.852030361970682 108.790925507 0.00178545218351194 TRUE -"TCMTB" NA NA "4" 139 -0.433048450364907 146.048198231 0.00239691015784902 FALSE -"TCMTB" NA NA "4" 157 -0.228697268192068 531.528373955 0.00872332404061995 FALSE -"TCMTB" NA NA "4" 167 0.150333851615877 212.684405793 0.00349052859833993 TRUE -"TCMTB" NA NA "4" 179 -0.17837964882576 1037.96452143 0.0170348401078349 FALSE -"TCMTB" NA NA "4" 180 0.789611889046075 20869.9768059 0.342513362068421 TRUE -"TCMTB" NA NA "4" 193 -0.166605827659421 150.142760278 0.00246410918858868 FALSE -"TCMTB" NA NA "4" 195 -0.182545269304725 161.612817282 0.00265235318253724 FALSE -"TCMTB" NA NA "4" 197 -0.242749284253616 110.914985894 0.00182031178451457 FALSE -"TCMTB" NA NA "4" 203 -0.312531258837773 175.738325112 0.00288417783777161 FALSE -"TCMTB" NA NA "4" 206 -0.0611854467140295 132.843214032 0.00218019292926153 FALSE -"TCMTB" NA NA "4" 207 -0.101127912669245 1589.964396964 0.0260941378247854 FALSE -"TCMTB" NA NA "4" 209 -0.156399927520568 1072.447051034 0.0176007596226065 FALSE -"TCMTB" NA NA "4" 211 0.17680025099723 170.462800996 0.0027975971233583 TRUE -"TCMTB" NA NA "4" 212 0.793502338978203 8421.26882924 0.138207968624554 TRUE -"TCMTB" NA NA "4" 221 -0.0518016280736369 625.5821654935 0.010266913698373 FALSE -"TCMTB" NA NA "4" 223 -0.122424017975061 256.69197036 0.00421277084309532 FALSE -"TCMTB" NA NA "4" 225 0.390061336386313 194.082402714 0.00318523671061755 TRUE -"TCMTB" NA NA "4" 239 1 60931.861694 1 TRUE -"TCMTB" NA NA "9" 81 0.199905171881859 504.416463383 0.00917134682541392 TRUE -"TCMTB" NA NA "9" 89 -0.199107007659055 149.391085399 0.00271624254218471 FALSE -"TCMTB" NA NA "9" 99 -0.0338812622433734 125.761179447 0.00228660140500962 FALSE -"TCMTB" NA NA "9" 109 0.126483758021084 210.522521964 0.00382773998006215 TRUE -"TCMTB" NA NA "9" 119 -0.79394237724823 127.158565038 0.00231200879916552 FALSE -"TCMTB" NA NA "9" 121 -0.821911171544641 157.729379176 0.00286785017142061 FALSE -"TCMTB" NA NA "9" 123 0.0805464330600702 205.188810103 0.00373076193732346 TRUE -"TCMTB" NA NA "9" 125 0.0321761514069641 122.26306915 0.00222299843980867 TRUE -"TCMTB" NA NA "9" 133 -0.199696627444678 412.972375868 0.00750870196226088 FALSE -"TCMTB" NA NA "9" 135 -0.00914152198049568 188.844723215 0.00343359223673672 FALSE -"TCMTB" NA NA "9" 139 0.0356119841376918 204.951471794 0.00372644663022147 TRUE -"TCMTB" NA NA "9" 147 0.368323214591474 192.940634707 0.00350806447859693 TRUE -"TCMTB" NA NA "9" 149 0.217409002829919 126.687723869 0.00230344792145027 TRUE -"TCMTB" NA NA "9" 151 -0.491987609751591 238.69669676 0.00434000543397092 FALSE -"TCMTB" NA NA "9" 153 -0.323263979793048 164.52813863 0.00299146584509828 FALSE -"TCMTB" NA NA "9" 157 0.0235401472310745 524.488719947 0.00953630245212462 TRUE -"TCMTB" NA NA "9" 161 -0.208033920560992 241.425545684 0.00438962161768608 FALSE -"TCMTB" NA NA "9" 163 -0.101839082838135 132.498260018 0.00240909562752766 FALSE -"TCMTB" NA NA "9" 165 -0.139851929152631 231.5828352 0.00421066054463649 FALSE -"TCMTB" NA NA "9" 167 -0.146067756874238 119.464797018 0.00217211999689992 FALSE -"TCMTB" NA NA "9" 175 -0.304775982977829 383.484092949 0.00697254327282744 FALSE -"TCMTB" NA NA "9" 177 0.511849259901944 181.200629236 0.00329460661248235 TRUE -"TCMTB" NA NA "9" 179 -0.183784064101631 1750.86946875 0.0318344707391953 FALSE -"TCMTB" NA NA "9" 180 0.0824682602917446 54999.170022145 1 TRUE -"TCMTB" NA NA "9" 181 -0.186412259346711 596.373793601 0.010843323514898 FALSE -"TCMTB" NA NA "9" 183 0.22178450880952 494.953159792 0.0089992841636103 TRUE -"TCMTB" NA NA "9" 193 0.193475698040205 809.099626569 0.0147111242995707 TRUE -"TCMTB" NA NA "9" 195 -0.404056320613755 725.98131943 0.0131998595458384 FALSE -"TCMTB" NA NA "9" 196 0.174130986610192 133.296440371 0.00242360821658453 TRUE -"TCMTB" NA NA "9" 197 0.106256782096321 523.726283058 0.00952243975403857 TRUE -"TCMTB" NA NA "9" 198 -0.00716378372760408 208.4981954115 0.00379093348731535 FALSE -"TCMTB" NA NA "9" 203 -0.144194753912229 459.324955954 0.00835148886372388 FALSE -"TCMTB" NA NA "9" 206 0.325500568016324 152.820631021 0.00277859885811855 TRUE -"TCMTB" NA NA "9" 207 -0.425345150875628 3160.93913257 0.0574724878811311 FALSE -"TCMTB" NA NA "9" 209 0.212622900608598 3198.85811233 0.0581619342808629 TRUE -"TCMTB" NA NA "9" 211 -0.529929003540618 578.71673209 0.0105222811881886 FALSE -"TCMTB" NA NA "9" 212 -0.0150310618117631 20718.67312981 0.376708832541796 FALSE -"TCMTB" NA NA "9" 219 0.0614914753429088 123.263058663 0.00224118034169187 TRUE -"TCMTB" NA NA "9" 221 0.209076519592657 2733.66568752 0.0497037625553133 TRUE -"TCMTB" NA NA "9" 223 0.0847402042583731 543.135544781 0.0098753407471842 TRUE -"TCMTB" NA NA "9" 225 0.382588834038783 381.507453195 0.00693660382586481 TRUE -"TCMTB" NA NA "9" 239 1 27067.5244917 0.492144235645765 TRUE -"Trichlorfon (Dylox)" NA NA "4" 79 0.0521595798449914 279.873629576 0.00690652095555926 TRUE -"Trichlorfon (Dylox)" NA NA "4" 109 0.922563790701349 9640.82224867 0.237909305675332 TRUE -"Trichlorfon (Dylox)" NA NA "4" 125 -0.441808918074544 178.089407913 0.00439476284199285 FALSE -"Trichlorfon (Dylox)" NA NA "4" 127 0.769422232032552 1076.07612804 0.0265546358881489 TRUE -"Trichlorfon (Dylox)" NA NA "4" 140 0.348604833045235 1970.98268515 0.0486384988777101 TRUE -"Trichlorfon (Dylox)" NA NA "4" 145 0.820960207936605 4235.84716059 0.104529202066952 TRUE -"Trichlorfon (Dylox)" NA NA "4" 185 0.31275352450403 348.909767164 0.00861014530796692 TRUE -"Trichlorfon (Dylox)" NA NA "4" 187 -0.260474354038597 107.324927324 0.00264848767902871 FALSE -"Trichlorfon (Dylox)" NA NA "4" 197 -0.0360245652498858 2081.96281053 0.0513771869161251 FALSE -"Trichlorfon (Dylox)" NA NA "4" 199 0.34691746641912 144.142693995 0.00355705015215411 TRUE -"Trichlorfon (Dylox)" NA NA "4" 201 0.095844899247823 127.383673675 0.00314348305328139 TRUE -"Trichlorfon (Dylox)" NA NA "4" 211 0.589929547507267 156.726169586 0.00386757614917167 TRUE -"Trichlorfon (Dylox)" NA NA "4" 213 0.214402092378455 334.711538323 0.00825977158690306 TRUE -"Trichlorfon (Dylox)" NA NA "4" 215 0.177739314274526 412.352368363 0.0101757363760497 TRUE -"Trichlorfon (Dylox)" NA NA "4" 221 0.950607639404665 40523.0985871 1 TRUE -"Trichlorfon (Dylox)" NA NA "4" 225 -0.377401610724356 503.974612244 0.012436724480996 FALSE -"Trichlorfon (Dylox)" NA NA "4" 227 0.163495046198974 177.141063216 0.00437136027086513 TRUE -"Trichlorfon (Dylox)" NA NA "4" 229 0.602334206324447 1013.548554406 0.0250116252148756 TRUE -"Trichlorfon (Dylox)" NA NA "4" 239 -0.216616311827602 1313.5219316555 0.0324141533459547 FALSE -"Trichlorfon (Dylox)" NA NA "4" 257 1 25290.7478033 0.624106958379313 TRUE -"Trichlorfon (Dylox)" NA NA "4" 79 0.0521595798449914 279.873629576 0.00690652095555926 TRUE -"Trichlorfon (Dylox)" NA NA "4" 109 0.922563790701349 9640.82224867 0.237909305675332 TRUE -"Trichlorfon (Dylox)" NA NA "4" 125 -0.441808918074544 178.089407913 0.00439476284199285 FALSE -"Trichlorfon (Dylox)" NA NA "4" 127 0.769422232032552 1076.07612804 0.0265546358881489 TRUE -"Trichlorfon (Dylox)" NA NA "4" 140 0.348604833045235 1970.98268515 0.0486384988777101 TRUE -"Trichlorfon (Dylox)" NA NA "4" 145 0.820960207936605 4235.84716059 0.104529202066952 TRUE -"Trichlorfon (Dylox)" NA NA "4" 185 0.31275352450403 348.909767164 0.00861014530796692 TRUE -"Trichlorfon (Dylox)" NA NA "4" 187 -0.260474354038597 107.324927324 0.00264848767902871 FALSE -"Trichlorfon (Dylox)" NA NA "4" 197 -0.0360245652498858 2081.96281053 0.0513771869161251 FALSE -"Trichlorfon (Dylox)" NA NA "4" 199 0.34691746641912 144.142693995 0.00355705015215411 TRUE -"Trichlorfon (Dylox)" NA NA "4" 201 0.095844899247823 127.383673675 0.00314348305328139 TRUE -"Trichlorfon (Dylox)" NA NA "4" 211 0.589929547507267 156.726169586 0.00386757614917167 TRUE -"Trichlorfon (Dylox)" NA NA "4" 213 0.214402092378455 334.711538323 0.00825977158690306 TRUE -"Trichlorfon (Dylox)" NA NA "4" 215 0.177739314274526 412.352368363 0.0101757363760497 TRUE -"Trichlorfon (Dylox)" NA NA "4" 221 0.950607639404665 40523.0985871 1 TRUE -"Trichlorfon (Dylox)" NA NA "4" 225 -0.377401610724356 503.974612244 0.012436724480996 FALSE -"Trichlorfon (Dylox)" NA NA "4" 227 0.163495046198974 177.141063216 0.00437136027086513 TRUE -"Trichlorfon (Dylox)" NA NA "4" 229 0.602334206324447 1013.548554406 0.0250116252148756 TRUE -"Trichlorfon (Dylox)" NA NA "4" 239 -0.216616311827602 1313.5219316555 0.0324141533459547 FALSE -"Trichlorfon (Dylox)" NA NA "4" 257 1 25290.7478033 0.624106958379313 TRUE +"compoundName" "inchikey" "elemcomposition" "fragment" "fragment_mz" "ppm" "fileid" "CorWithPrecursor" "AbsoluteIntensity" "relativeIntensity" "corValid" +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 84 NA "7" 0.601436519480403 406.383798606 0.00344160476662782 TRUE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 123 NA "7" -0.167860259307508 295.871994004 0.00250569650751035 FALSE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 126 NA "7" 0.907929868611774 430.137959956 0.00364277527394095 TRUE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 137 NA "7" 0.676403388268515 430.806630151 0.00364843814371653 TRUE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 146 NA "7" -0.125051837812104 538.358772757 0.00455928145962519 FALSE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 148 NA "7" 0.1558553290912 143.310915941 0.00121367912083162 TRUE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 149 NA "7" -0.276972713799663 617.416199707 0.00522880720932724 FALSE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 150 NA "7" -0.410733329402461 5080.527405 0.0430262411887723 FALSE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 151 NA "7" -0.243340932574313 218.539256565 0.00185077690023418 FALSE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 154 NA "7" 0.991757449276389 16836.882397703 0.14258908675458 TRUE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 164 NA "7" 0.146040591250743 1829.10214243 0.0154903976822645 TRUE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 180 NA "7" 0.39213526382476 209.753137589 0.00177636854770712 TRUE +"2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 182 NA "7" 1 118079.7407496 1 TRUE +"5-hydroxy-thiabendazole" NA NA NA 132 NA "1" 0.710501933879621 105.532976149 6.84594522892331e-05 TRUE +"5-hydroxy-thiabendazole" NA NA NA 144 NA "1" 0.276479394498518 203.085251814 0.00013174180824369 TRUE +"5-hydroxy-thiabendazole" NA NA NA 146 NA "1" 0.604633971720309 166.134730821 0.000107771931516144 TRUE +"5-hydroxy-thiabendazole" NA NA NA 156 NA "1" 0.191791879044897 459.381193152 0.000298001496998986 TRUE +"5-hydroxy-thiabendazole" NA NA NA 158 NA "1" -0.331971393756239 13878.1056368 0.00900275482959977 FALSE +"5-hydroxy-thiabendazole" NA NA NA 160 NA "1" 0.77523958114776 386.949028017 0.000251014606889261 TRUE +"5-hydroxy-thiabendazole" NA NA NA 162 NA "1" -0.476769537229124 213.45186329 0.000138466649801652 FALSE +"5-hydroxy-thiabendazole" NA NA NA 172 NA "1" 0.593280623618274 794.89456843 0.000515649693282338 TRUE +"5-hydroxy-thiabendazole" NA NA NA 173 NA "1" 0.89953946593837 207.738348006 0.000134760281031794 TRUE +"5-hydroxy-thiabendazole" NA NA NA 174 NA "1" 0.150820546879602 1525.52666664 0.000989612193854381 TRUE +"5-hydroxy-thiabendazole" NA NA NA 175 NA "1" 0.646696639290413 163.18886233 0.000105860940745588 TRUE +"5-hydroxy-thiabendazole" NA NA NA 176 NA "1" 0.506660895270366 1125.51529793 0.000730124020482966 TRUE +"5-hydroxy-thiabendazole" NA NA NA 177 NA "1" -0.349150043770229 185.412219041 0.000120277276605531 FALSE +"5-hydroxy-thiabendazole" NA NA NA 186 NA "1" -0.386785516946622 13148.1585083 0.00852923667024592 FALSE +"5-hydroxy-thiabendazole" NA NA NA 188 NA "1" -0.333885650073135 540.530680192 0.000350643331229711 FALSE +"5-hydroxy-thiabendazole" NA NA NA 190 NA "1" 0.710817170481525 358.462937357 0.000232535623015143 TRUE +"5-hydroxy-thiabendazole" NA NA NA 191 NA "1" 0.943541098312933 285.348824959 0.000185106352354628 TRUE +"5-hydroxy-thiabendazole" NA NA NA 200 NA "1" 0.285023586376285 2249.33108917 0.00145914556758363 TRUE +"5-hydroxy-thiabendazole" NA NA NA 204 NA "1" 0.272327432166324 220.729373931 0.000143187585481591 TRUE +"5-hydroxy-thiabendazole" NA NA NA 218 NA "1" 1 1541539.884122 1 TRUE +"5-hydroxy-thiabendazole" NA NA NA 219 NA "1" 0.989745977797565 55751.12976688 0.0361658691683048 TRUE +"acetamiprid-N-desmethyl" NA NA NA 99 NA "2" 0.667400010170284 282.404261107 0.000748607853773036 TRUE +"acetamiprid-N-desmethyl" NA NA NA 107 NA "2" 0.644182822419527 250.776102526 0.000664766739544435 TRUE +"acetamiprid-N-desmethyl" NA NA NA 121 NA "2" 0.468461643454679 182.548945409 0.000483907621278365 TRUE +"acetamiprid-N-desmethyl" NA NA NA 126 NA "2" 0.99471830230169 148406.8197 0.393402388283387 TRUE +"acetamiprid-N-desmethyl" NA NA NA 127 NA "2" 0.685580673617811 301.425851346 0.000799031001739535 TRUE +"acetamiprid-N-desmethyl" NA NA NA 131 NA "2" 0.71686560485514 235.917765632 0.00062537970037848 TRUE +"acetamiprid-N-desmethyl" NA NA NA 132 NA "2" 0.825023006886452 3437.337815361 0.00911182456866446 TRUE +"acetamiprid-N-desmethyl" NA NA NA 133 NA "2" 0.609229728784487 1059.475870153 0.00280849854804084 TRUE +"acetamiprid-N-desmethyl" NA NA NA 135 NA "2" -0.0630703589928776 1620.073705625 0.00429455240855075 FALSE +"acetamiprid-N-desmethyl" NA NA NA 139 NA "2" 0.388512588178974 560.54565096 0.00148591552783965 TRUE +"acetamiprid-N-desmethyl" NA NA NA 141 NA "2" 0.971318347491603 11361.06560494 0.0301163406874599 TRUE +"acetamiprid-N-desmethyl" NA NA NA 146 NA "2" 0.677368485127156 744.749183894 0.00197420919205914 TRUE +"acetamiprid-N-desmethyl" NA NA NA 147 NA "2" 0.814646347538386 171.753984928 0.00045529193337915 TRUE +"acetamiprid-N-desmethyl" NA NA NA 149 NA "2" -0.156704527239734 1569.49830252 0.00416048522477764 FALSE +"acetamiprid-N-desmethyl" NA NA NA 151 NA "2" 0.451637386634768 547.910546303 0.00145242191643876 TRUE +"acetamiprid-N-desmethyl" NA NA NA 153 NA "2" 0.307104196288287 353.766232977 0.00093777685707774 TRUE +"acetamiprid-N-desmethyl" NA NA NA 156 NA "2" 0.486407391413412 347.237878558 0.000920471249254685 TRUE +"acetamiprid-N-desmethyl" NA NA NA 159 NA "2" 0.161971228755214 544.50952719 0.00144340636685447 TRUE +"acetamiprid-N-desmethyl" NA NA NA 163 NA "2" -0.0146119879123163 804.357781409 0.00213222190786309 FALSE +"acetamiprid-N-desmethyl" NA NA NA 165 NA "2" 0.907832718528441 5504.73675146 0.0145921635493123 TRUE +"acetamiprid-N-desmethyl" NA NA NA 167 NA "2" 0.967321684550227 14122.07723917 0.0374353343373474 TRUE +"acetamiprid-N-desmethyl" NA NA NA 168 NA "2" 0.977465016016083 20360.7667386 0.0539730874796597 TRUE +"acetamiprid-N-desmethyl" NA NA NA 173 NA "2" 0.825972891702218 4449.28006372 0.0117943192014181 TRUE +"acetamiprid-N-desmethyl" NA NA NA 174 NA "2" 0.438640287775404 357.580513016 0.00094788789429259 TRUE +"acetamiprid-N-desmethyl" NA NA NA 175 NA "2" -0.153796105444945 275.919033053 0.000731416566942933 FALSE +"acetamiprid-N-desmethyl" NA NA NA 177 NA "2" -0.495623187250053 34391.2702636 0.0911656747658185 FALSE +"acetamiprid-N-desmethyl" NA NA NA 179 NA "2" 0.00427133435060827 165.392969587 0.000438429914287877 TRUE +"acetamiprid-N-desmethyl" NA NA NA 180 NA "2" 0.855262507886083 2962.451229122 0.00785297731644369 TRUE +"acetamiprid-N-desmethyl" NA NA NA 181 NA "2" 0.514902430711196 334.53332619 0.000886793543245312 TRUE +"acetamiprid-N-desmethyl" NA NA NA 182 NA "2" 0.983758938668445 16217.3405395 0.0429895372243752 TRUE +"acetamiprid-N-desmethyl" NA NA NA 191 NA "2" 0.248678055177222 2196.72544869 0.00582316257207377 TRUE +"acetamiprid-N-desmethyl" NA NA NA 192 NA "2" 0.98871539868282 29705.473639 0.0787443885550213 TRUE +"acetamiprid-N-desmethyl" NA NA NA 193 NA "2" 0.375698142428829 714.29845333 0.0018934892483728 TRUE +"acetamiprid-N-desmethyl" NA NA NA 195 NA "2" 0.144605138810588 367.760202152 0.000974872597732636 TRUE +"acetamiprid-N-desmethyl" NA NA NA 207 NA "2" 0.7622236383338 134.383083348 0.000356227739674342 TRUE +"acetamiprid-N-desmethyl" NA NA NA 209 NA "2" 1 377239.244397 1 TRUE +"acetamiprid-N-desmethyl" NA NA NA 210 NA "2" 0.765065526384015 386.747904794 0.00102520591518043 TRUE +"Acetochlor" NA NA NA 90 NA "1" -0.413542784417976 168.935868988 0.00157592376551218 FALSE +"Acetochlor" NA NA NA 105 NA "1" 0.0886345509407037 645.152495867 0.00601832610627245 TRUE +"Acetochlor" NA NA NA 106 NA "1" -0.293052763132192 236.024559512 0.00220176280388344 FALSE +"Acetochlor" NA NA NA 108 NA "1" -0.116561248444136 164.247659203 0.0015321896475765 FALSE +"Acetochlor" NA NA NA 109 NA "1" -0.378222721795233 71.653102161 0.00066841830124432 FALSE +"Acetochlor" NA NA NA 131 NA "1" -0.138102380187011 668.788094532 0.00623881155954778 FALSE +"Acetochlor" NA NA NA 133 NA "1" -0.271231157310156 164.479385851 0.00153435131717262 FALSE +"Acetochlor" NA NA NA 146 NA "1" 0.425554853536635 292.081740854 0.00272469404893927 TRUE +"Acetochlor" NA NA NA 148 NA "1" 0.0578513509605613 6853.478112981 0.0639328941767335 TRUE +"Acetochlor" NA NA NA 149 NA "1" 0.301743295670748 176.969023715 0.00165086131147061 TRUE +"Acetochlor" NA NA NA 158 NA "1" 0.97190874911017 424.736170283 0.00396216522181653 TRUE +"Acetochlor" NA NA NA 170 NA "1" -0.13939212527027 148.949374199 0.00138947909679882 FALSE +"Acetochlor" NA NA NA 181 NA "1" 0.141259460310622 150.438060279 0.00140336635346559 TRUE +"Acetochlor" NA NA NA 182 NA "1" -0.0210426315627036 162.282338626 0.00151385609045391 FALSE +"Acetochlor" NA NA NA 187 NA "1" -0.0923918791297787 2237.85539434 0.0208759070577874 FALSE +"Acetochlor" NA NA NA 188 NA "1" -0.191587550018626 4602.40566264 0.0429336913808246 FALSE +"Acetochlor" NA NA NA 192 NA "1" -0.296095034301861 308.925148018 0.00288181832219726 FALSE +"Acetochlor" NA NA NA 194 NA "1" 0.259284492453656 715.460827596 0.00667419967266773 TRUE +"Acetochlor" NA NA NA 196 NA "1" 0.256252254525688 141.90940619 0.00132380652554271 TRUE +"Acetochlor" NA NA NA 198 NA "1" 0.26612556611455 206.362589833 0.0019250601519892 TRUE +"Acetochlor" NA NA NA 206 NA "1" -0.103848204114401 1366.751734653 0.0127497881479963 FALSE +"Acetochlor" NA NA NA 208 NA "1" 0.14680023271578 230.938957684 0.00215432160130942 TRUE +"Acetochlor" NA NA NA 209 NA "1" -0.285178652800338 250.230108255 0.00233427972879905 FALSE +"Acetochlor" NA NA NA 210 NA "1" -0.150121465648155 2176.80463217 0.0203063930310583 FALSE +"Acetochlor" NA NA NA 211 NA "1" 0.351817549891049 157.548359398 0.00146969501077594 TRUE +"Acetochlor" NA NA NA 212 NA "1" -0.274380798967957 244.831272599 0.00228391651424104 FALSE +"Acetochlor" NA NA NA 214 NA "1" -0.258732686623694 176.2052269075 0.00164373620803241 FALSE +"Acetochlor" NA NA NA 216 NA "1" -0.418583624117481 94.821614269 0.000884546522333634 FALSE +"Acetochlor" NA NA NA 224 NA "1" -0.0120963321458483 107197.9956677 1 FALSE +"Acetochlor" NA NA NA 226 NA "1" -0.257432677982489 399.374764942 0.00372558052465841 FALSE +"Acetochlor" NA NA NA 228 NA "1" 0.263942241843786 184.647782791 0.00172249286603627 TRUE +"Acetochlor" NA NA NA 229 NA "1" -0.00925902828729661 307.596475608 0.00286942375827165 FALSE +"Acetochlor" NA NA NA 234 NA "1" 0.145449046631585 301.330885896 0.00281097500022376 TRUE +"Acetochlor" NA NA NA 236 NA "1" 0.115607205627716 138.344456677 0.00129055077770157 TRUE +"Acetochlor" NA NA NA 238 NA "1" -0.149430685867243 2391.6560440125 0.0223106414361172 FALSE +"Acetochlor" NA NA NA 240 NA "1" 0.156192678570762 600.865685468 0.00560519515057545 TRUE +"Acetochlor" NA NA NA 241 NA "1" 0.202965937972007 160.343672044 0.0014957711759933 TRUE +"Acetochlor" NA NA NA 242 NA "1" 0.124997914136909 329.957005985 0.00307801469542233 TRUE +"Acetochlor" NA NA NA 252 NA "1" -0.19893084330067 2059.789746802 0.0192148158552058 FALSE +"Acetochlor" NA NA NA 253 NA "1" -0.0791613436472404 452.481779105 0.00422099103893356 FALSE +"Acetochlor" NA NA NA 256 NA "1" 0.186204065321267 164.824254505 0.00153756843566305 TRUE +"Acetochlor" NA NA NA 261 NA "1" -0.242902770076295 257.921786798 0.00240603180303412 FALSE +"Acetochlor" NA NA NA 270 NA "1" 1 16594.42395571 0.154801625276191 TRUE +"Acetochlor" NA NA NA 271 NA "1" -0.253532188775508 779.655446051 0.00727304126532208 FALSE +"Benzophenone-3 (Oxybenzone)" NA NA NA 77 NA "3" 0.69477920751872 870.478060227 0.0014242295653631 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 89 NA "3" 0.676653604256223 165.940935375 0.000271503667999917 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 95 NA "3" 0.521609484198171 238.079426778 0.000389532802737732 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 99 NA "3" 0.214978774915306 758.42315006 0.00124089132480787 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 103 NA "3" -0.175614809818246 205.276515963 0.000335862437512779 FALSE +"Benzophenone-3 (Oxybenzone)" NA NA NA 105 NA "3" 0.987595651529689 30618.35601838 0.0500961137065514 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 109 NA "3" -0.0331819338939282 119.257135388 0.000195122135595017 FALSE +"Benzophenone-3 (Oxybenzone)" NA NA NA 125 NA "3" 0.221534949124524 125.521258344 0.000205371157968629 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 131 NA "3" -0.0769400909861422 114.41145277 0.000187193889308003 FALSE +"Benzophenone-3 (Oxybenzone)" NA NA NA 133 NA "3" 0.572601862795851 129.429865364 0.000211766211367009 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 145 NA "3" 0.718567048619817 288.210931778 0.00047155528537047 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 147 NA "3" 0.57814551993529 376.0975962 0.000615350737076991 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 151 NA "3" 0.998571995173738 159431.3573291 0.260853045158726 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 155 NA "3" 0.274165989375019 547.054241654 0.00089506084118621 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 157 NA "3" 0.521741962188308 155.837506292 0.000254972978636183 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 159 NA "3" 0.599002952882604 238.00416661 0.000389409666082994 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 167 NA "3" 0.564592368281745 257.318804747 0.000421011242200641 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 168 NA "3" -0.146991507106656 151.218960753 0.000247416361868721 FALSE +"Benzophenone-3 (Oxybenzone)" NA NA NA 169 NA "3" -0.107419781343326 3788.50213244 0.00619854421610022 FALSE +"Benzophenone-3 (Oxybenzone)" NA NA NA 171 NA "3" 0.111676250736762 382.563049794 0.000625929165853998 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 173 NA "3" 0.884908337751885 458.223273266 0.0007497203699226 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 176 NA "3" -0.310670506555032 259.803405295 0.000425076412502183 FALSE +"Benzophenone-3 (Oxybenzone)" NA NA NA 179 NA "3" 0.442667912965062 428.589997766 0.000701235992183494 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 183 NA "3" 0.203058950554087 944.86580463 0.00154593880735342 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 185 NA "3" 0.086056322407198 684.03097247 0.0011191748294745 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 187 NA "3" 0.188752374223928 691.000221263 0.00113057754096475 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 188 NA "3" 0.532318575773762 155.360950946 0.000254193264311013 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 193 NA "3" 0.532333874252887 550.277831083 0.000900335105502736 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 194 NA "3" 0.404771811623703 213.046855456 0.00034857585068709 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 197 NA "3" -0.376007038146267 9309.2124023 0.0152312345817688 FALSE +"Benzophenone-3 (Oxybenzone)" NA NA NA 199 NA "3" 0.693343211910461 425.048076161 0.00069544088981558 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 201 NA "3" 0.131155119793369 874.082128059 0.00143012634805809 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 211 NA "3" 0.135597286354562 4465.9266051 0.0073069098445358 TRUE +"Benzophenone-3 (Oxybenzone)" NA NA NA 212 NA "3" -0.168353630773146 322.224400034 0.000527206299823496 FALSE +"Benzophenone-3 (Oxybenzone)" NA NA NA 229 NA "3" 1 611192.241333 1 TRUE +"Carbendazim" NA NA NA 160 NA "3" 0.994444263956995 200635.423844 0.331299115613893 TRUE +"Carbendazim" NA NA NA 174 NA "3" -0.327599422633271 174354.292947145 0.28790241498823 FALSE +"Carbendazim" NA NA NA 192 NA "3" 1 605602.0508 1 TRUE +"Cefoperazone" NA NA NA 347 NA "10" 0.226884700924027 55.521286247 0.00372463293062797 TRUE +"Cefoperazone" NA NA NA 441 NA "10" 0.950924061290588 356.13324352 0.0238911180948661 TRUE +"Cefoperazone" NA NA NA 524 NA "10" 0.63708852921762 114.893221858 0.00770758580293832 TRUE +"Cefoperazone" NA NA NA 561 NA "10" 0.111067154638739 72.667052267 0.00487485276622093 TRUE +"Cefoperazone" NA NA NA 564 NA "10" -0.75489933245436 748.1662902 0.0501905663652606 FALSE +"Cefoperazone" NA NA NA 586 NA "10" 0.187524556076074 129.148378375 0.00866388975379182 TRUE +"Cefoperazone" NA NA NA 614 NA "10" 0.0285742507974875 422.54654697 0.0283464395361093 TRUE +"Cefoperazone" NA NA NA 628 NA "10" 0.43993219756173 173.41936492 0.011633798873392 TRUE +"Cefoperazone" NA NA NA 629 NA "10" 0.559404696846334 796.2319794 0.0534150422542233 TRUE +"Cefoperazone" NA NA NA 646 NA "10" 1 14906.512207 1 TRUE +"Cefoperazone" NA NA NA 647 NA "10" 0.297300736007047 14057.66561646 0.943055318457299 TRUE +"Chlorfenvinphos" NA NA NA 127 NA "3" 0.727473295311465 24137.73558819 0.300644369405397 TRUE +"Chlorfenvinphos" NA NA NA 155 NA "3" 0.745209586723937 80286.67104569 1 TRUE +"Chlorfenvinphos" NA NA NA 157 NA "3" 0.017393610004476 139.23782349 0.00173425827321651 TRUE +"Chlorfenvinphos" NA NA NA 170 NA "3" 0.799420559123311 545.251562146 0.00679130863248403 TRUE +"Chlorfenvinphos" NA NA NA 171 NA "3" -0.531295080469301 99.739204413 0.0012422884535372 FALSE +"Chlorfenvinphos" NA NA NA 173 NA "3" -0.198218744905989 168.180216313 0.0020947464145984 FALSE +"Chlorfenvinphos" NA NA NA 181 NA "3" -0.128976632201229 461.190903668 0.00574430223175579 FALSE +"Chlorfenvinphos" NA NA NA 185 NA "3" -0.2544333889353 247.534089571 0.00308312807527082 FALSE +"Chlorfenvinphos" NA NA NA 203 NA "3" -0.172388876944166 163.480865011 0.00203621426672387 FALSE +"Chlorfenvinphos" NA NA NA 205 NA "3" 0.752272235645639 6250.3470306075 0.0778503697961336 TRUE +"Chlorfenvinphos" NA NA NA 213 NA "3" 0.264335947671665 352.834961408 0.004394689140956 TRUE +"Chlorfenvinphos" NA NA NA 217 NA "3" -0.442009813945246 491.887822143 0.00612664363506956 FALSE +"Chlorfenvinphos" NA NA NA 227 NA "3" 0.458106805328464 167.324791902 0.00208409178911874 TRUE +"Chlorfenvinphos" NA NA NA 229 NA "3" -0.395326148767009 213.640604973 0.00266097226588732 FALSE +"Chlorfenvinphos" NA NA NA 231 NA "3" 0.234108428261132 159.982762809 0.00199264411795024 TRUE +"Chlorfenvinphos" NA NA NA 239 NA "3" -0.171996620639336 142.366676804 0.00177322929135997 FALSE +"Chlorfenvinphos" NA NA NA 247 NA "3" -0.232816566716532 148.446807872 0.0018489595587731 FALSE +"Chlorfenvinphos" NA NA NA 256 NA "3" 0.394955111460252 475.08197783 0.00591732066658534 TRUE +"Chlorfenvinphos" NA NA NA 257 NA "3" 0.227845777482218 243.51356935 0.00303305101803785 TRUE +"Chlorfenvinphos" NA NA NA 263 NA "3" 0.313835212054095 156.506553191 0.0019493466493577 TRUE +"Chlorfenvinphos" NA NA NA 269 NA "3" 0.0471043568125147 652.63590526 0.00812882009877573 TRUE +"Chlorfenvinphos" NA NA NA 270 NA "3" 0.414268218911412 122.097583527 0.00152077028399292 TRUE +"Chlorfenvinphos" NA NA NA 271 NA "3" -0.208600220564307 998.660381296 0.0124386821409954 FALSE +"Chlorfenvinphos" NA NA NA 277 NA "3" -0.0965894124411186 2095.40770716 0.0260990732318137 FALSE +"Chlorfenvinphos" NA NA NA 281 NA "3" -0.469852594334717 209.236600657 0.00260611877328836 FALSE +"Chlorfenvinphos" NA NA NA 285 NA "3" 0.0829139920350994 331.69540905 0.00413138824576793 TRUE +"Chlorfenvinphos" NA NA NA 297 NA "3" 0.377407626252506 235.281828857 0.00293052166433834 TRUE +"Chlorfenvinphos" NA NA NA 299 NA "3" 0.0684165551844081 4636.7299574 0.0577521760089082 TRUE +"Chlorfenvinphos" NA NA NA 301 NA "3" 0.755131276527433 309.120713465 0.00385021211415135 TRUE +"Chlorfenvinphos" NA NA NA 303 NA "3" 0.256144790638075 675.674108275 0.00841576938581104 TRUE +"Chlorfenvinphos" NA NA NA 313 NA "3" -0.204360058382281 243.367131218 0.00303122707727542 FALSE +"Chlorfenvinphos" NA NA NA 315 NA "3" -0.382059666252692 364.384241579 0.00453853967082075 FALSE +"Chlorfenvinphos" NA NA NA 317 NA "3" 0.310202941106162 455.98356629 0.00567944293057693 TRUE +"Chlorfenvinphos" NA NA NA 318 NA "3" 0.415225959687801 228.938733097 0.00285151607502464 TRUE +"Chlorfenvinphos" NA NA NA 323 NA "3" -0.314263466258524 563.653416619 0.00702051049417945 FALSE +"Chlorfenvinphos" NA NA NA 327 NA "3" -0.140520115757785 2409.41143152 0.0300101050415808 FALSE +"Chlorfenvinphos" NA NA NA 331 NA "3" 0.71483882497497 12451.37509615 0.155086453753502 TRUE +"Chlorfenvinphos" NA NA NA 341 NA "3" -0.150166105415009 1974.064373155 0.0245876974028676 FALSE +"Chlorfenvinphos" NA NA NA 342 NA "3" 0.842450324350269 114.13835049 0.00142163511082737 TRUE +"Chlorfenvinphos" NA NA NA 343 NA "3" -0.147385439331454 393.598319057 0.0049024117444477 FALSE +"Chlorfenvinphos" NA NA NA 359 NA "3" 1 22584.7152179 0.28130092982741 TRUE +"Chlorfenvinphos" NA NA NA 360 NA "3" -0.226912638302916 850.672736164 0.0105954416229301 FALSE +"Chlorfenvinphos" NA NA NA 119 NA "6" 0.0731250401711081 66.353376868 0.000891803512611579 TRUE +"Chlorfenvinphos" NA NA NA 127 NA "6" 0.967444814451871 20710.93127215 0.278359325927056 TRUE +"Chlorfenvinphos" NA NA NA 155 NA "6" 0.963091521050382 74403.5832217 1 TRUE +"Chlorfenvinphos" NA NA NA 170 NA "6" 0.449862694478131 251.752763748 0.00338361074624395 TRUE +"Chlorfenvinphos" NA NA NA 177 NA "6" 0.170534803208042 308.496086376 0.00414625308376313 TRUE +"Chlorfenvinphos" NA NA NA 181 NA "6" -0.0163271234849685 354.258750916 0.00476131303865322 FALSE +"Chlorfenvinphos" NA NA NA 185 NA "6" 0.257029822176199 620.034171576 0.00833339127940232 TRUE +"Chlorfenvinphos" NA NA NA 187 NA "6" 0.089332028465713 255.646638389 0.00343594525047605 TRUE +"Chlorfenvinphos" NA NA NA 195 NA "6" -0.00564478295778355 215.919657704 0.00290200617167355 FALSE +"Chlorfenvinphos" NA NA NA 205 NA "6" 0.920038935805411 4144.892359716 0.0557082358166203 TRUE +"Chlorfenvinphos" NA NA NA 215 NA "6" -0.485598529136673 111.581706056 0.00149968188660377 FALSE +"Chlorfenvinphos" NA NA NA 217 NA "6" -0.102544969577153 184.536623947 0.00248021151611929 FALSE +"Chlorfenvinphos" NA NA NA 227 NA "6" -0.218545060535632 385.765646933 0.00518477242935378 FALSE +"Chlorfenvinphos" NA NA NA 257 NA "6" -0.190658380546032 116.439049717 0.00156496561959989 FALSE +"Chlorfenvinphos" NA NA NA 263 NA "6" -0.283711355460578 130.036875959 0.00174772329944822 FALSE +"Chlorfenvinphos" NA NA NA 269 NA "6" -0.096686341821556 521.926541329 0.00701480384047927 FALSE +"Chlorfenvinphos" NA NA NA 271 NA "6" -0.29431709758827 286.086881162 0.00384506859447277 FALSE +"Chlorfenvinphos" NA NA NA 277 NA "6" -0.244117217731705 7365.76094096 0.0989973953137751 FALSE +"Chlorfenvinphos" NA NA NA 287 NA "6" -0.285814972272172 1436.521243097 0.0193071513614688 FALSE +"Chlorfenvinphos" NA NA NA 299 NA "6" 0.0846894086356431 4075.071828875 0.054769833016409 TRUE +"Chlorfenvinphos" NA NA NA 301 NA "6" 0.659557765349154 184.163766389 0.00247520023115349 TRUE +"Chlorfenvinphos" NA NA NA 303 NA "6" 0.432503000199826 558.96223402 0.00751257143563184 TRUE +"Chlorfenvinphos" NA NA NA 315 NA "6" -0.531353518553151 228.835577496 0.00307559888364704 FALSE +"Chlorfenvinphos" NA NA NA 317 NA "6" 0.102388860009693 371.096517574 0.00498761620751847 TRUE +"Chlorfenvinphos" NA NA NA 327 NA "6" -0.0392538720434494 857.215583061 0.0115211599487992 FALSE +"Chlorfenvinphos" NA NA NA 331 NA "6" 0.927142862540353 10942.34945269 0.147067506414108 TRUE +"Chlorfenvinphos" NA NA NA 341 NA "6" 0.27843013514813 681.509114277 0.0091596275981267 TRUE +"Chlorfenvinphos" NA NA NA 359 NA "6" 1 70775.23458992 0.951234221865785 TRUE +"Chlorfenvinphos" NA NA NA 360 NA "6" 0.211699399531209 336.06626725 0.0045168021847634 TRUE +"Chlormequat" NA NA NA 104 NA "3" 0.258848039085982 1344.00603488 0.0035075545862099 TRUE +"Chlormequat" NA NA NA 122 NA "3" 1 383174.65968 1 TRUE +"Chlormequat" NA NA NA 104 NA "7" -0.238480528781348 249.84195518 0.00659545474896182 FALSE +"Chlormequat" NA NA NA 122 NA "7" 1 37880.9293202 1 TRUE +"Desisopropylatrazine" NA NA NA 79 NA "1" -0.00233999251843864 530.25218964 0.0010623465213357 TRUE +"Desisopropylatrazine" NA NA NA 115 NA "1" 0.0134526232413478 19215.13916 0.0384970333785257 TRUE +"Desisopropylatrazine" NA NA NA 130 NA "1" 0.263395383425939 3994.6477049 0.00800317316208218 TRUE +"Desisopropylatrazine" NA NA NA 132 NA "1" -0.0312768712385 7326.0765379 0.0146776045005323 FALSE +"Desisopropylatrazine" NA NA NA 133 NA "1" 0.249785689081156 9816.328859 0.0196667604950881 TRUE +"Desisopropylatrazine" NA NA NA 142 NA "1" -0.064738762712863 4465.0982056 0.0089457085492884 FALSE +"Desisopropylatrazine" NA NA NA 146 NA "1" 0.267964087777204 1514.5723649 0.00303440648544061 TRUE +"Desisopropylatrazine" NA NA NA 156 NA "1" -0.877674937275134 2233.4023818 0.00447456379700939 FALSE +"Desisopropylatrazine" NA NA NA 159 NA "1" -0.178626327953242 56937.500976 0.114072807764298 FALSE +"Desisopropylatrazine" NA NA NA 174 NA "1" 1 499132.98438 1 TRUE +"Dichlorvos" NA NA NA 77 NA "8" 0.673126587009387 741.86317154 0.00161896017936163 TRUE +"Dichlorvos" NA NA NA 79 NA "8" 0.878900088282318 1378.256703748 0.00300775507655178 TRUE +"Dichlorvos" NA NA NA 95 NA "8" 0.23830151975066 167.451852342 0.000365428412276191 TRUE +"Dichlorvos" NA NA NA 99 NA "8" 0.0952811367061809 779.789044359 0.00170172541184249 TRUE +"Dichlorvos" NA NA NA 105 NA "8" 0.421334905224525 170.538307904 0.000372163951715189 TRUE +"Dichlorvos" NA NA NA 107 NA "8" 0.259129043686515 193.227040286 0.000421677333233239 TRUE +"Dichlorvos" NA NA NA 109 NA "8" 0.967088540122942 63244.728942055 0.138018305315196 TRUE +"Dichlorvos" NA NA NA 111 NA "8" 0.669971084873578 362.689319128 0.000791493078068717 TRUE +"Dichlorvos" NA NA NA 117 NA "8" 0.427724412537125 150.021759756 0.000327390904954265 TRUE +"Dichlorvos" NA NA NA 119 NA "8" 0.352320220252662 842.015996927 0.00183752263450484 TRUE +"Dichlorvos" NA NA NA 121 NA "8" 0.347913703205373 778.073791986 0.00169798223466916 TRUE +"Dichlorvos" NA NA NA 123 NA "8" 0.375380270767784 270.12158084 0.000589483478548166 TRUE +"Dichlorvos" NA NA NA 127 NA "8" 0.948284758535013 7147.09441171 0.0155970287980156 TRUE +"Dichlorvos" NA NA NA 133 NA "8" 0.111433255667834 852.743870701 0.00186093396036062 TRUE +"Dichlorvos" NA NA NA 135 NA "8" 0.0748728027193132 220.929068083 0.000482131176490902 TRUE +"Dichlorvos" NA NA NA 137 NA "8" 0.453769927098964 505.667025571 0.00110351181972854 TRUE +"Dichlorvos" NA NA NA 139 NA "8" 0.467524552074558 137.935647968 0.000301015510597557 TRUE +"Dichlorvos" NA NA NA 143 NA "8" 0.278796612798532 266.444155698 0.000581458272424074 TRUE +"Dichlorvos" NA NA NA 145 NA "8" 0.994170372012309 44316.40897363 0.0967112321692371 TRUE +"Dichlorvos" NA NA NA 146 NA "8" 0.346301417994264 207.562618724 0.000452961714948885 TRUE +"Dichlorvos" NA NA NA 147 NA "8" -0.183799172220307 819.102781302 0.00178751936557185 FALSE +"Dichlorvos" NA NA NA 149 NA "8" 0.291827272614207 273.867382537 0.000597657902107486 TRUE +"Dichlorvos" NA NA NA 151 NA "8" -0.0612144593206886 544.88402842 0.00118909467166422 FALSE +"Dichlorvos" NA NA NA 153 NA "8" 0.459453598609755 595.225358962 0.00129895402666414 TRUE +"Dichlorvos" NA NA NA 157 NA "8" -0.0788899965991259 259.340542296 0.000565956131775221 FALSE +"Dichlorvos" NA NA NA 159 NA "8" 0.0596826580176188 1143.682675356 0.00249584664700842 TRUE +"Dichlorvos" NA NA NA 161 NA "8" 0.106726535917086 9549.15720075 0.0208390251026838 TRUE +"Dichlorvos" NA NA NA 163 NA "8" 0.0347987341572495 754.856181158 0.00164731468729325 TRUE +"Dichlorvos" NA NA NA 165 NA "8" -0.380495498071025 1334.653779975 0.00291260087561511 FALSE +"Dichlorvos" NA NA NA 175 NA "8" 0.149156761794573 7231.4122008 0.015781034620363 TRUE +"Dichlorvos" NA NA NA 176 NA "8" -0.107338339253918 284.52136421 0.00062090797401014 FALSE +"Dichlorvos" NA NA NA 177 NA "8" 0.0961702542234717 389.493910798 0.000849988455926194 TRUE +"Dichlorvos" NA NA NA 178 NA "8" 0.493220332481887 482.049106835 0.00105197068462459 TRUE +"Dichlorvos" NA NA NA 179 NA "8" -0.0861608852458405 2525.723908887 0.00551186066301337 FALSE +"Dichlorvos" NA NA NA 185 NA "8" 0.0918293472268129 668.89163876 0.00145971517255995 TRUE +"Dichlorvos" NA NA NA 189 NA "8" -0.197479261216347 5542.6118852 0.0120955834930694 FALSE +"Dichlorvos" NA NA NA 191 NA "8" 0.387244221989 1667.67687608 0.00363935366788881 TRUE +"Dichlorvos" NA NA NA 192 NA "8" 0.819756995871118 124.725039958 0.000272186139988758 TRUE +"Dichlorvos" NA NA NA 193 NA "8" -0.217736800465349 3528.26782225 0.00769970167745111 FALSE +"Dichlorvos" NA NA NA 203 NA "8" -0.00105621012897679 9102.7295684 0.0198647907863461 TRUE +"Dichlorvos" NA NA NA 204 NA "8" 0.224749665606753 212.49892521 0.000463734164560272 TRUE +"Dichlorvos" NA NA NA 206 NA "8" 0.0812819184416861 745.68288134 0.00162729589179507 TRUE +"Dichlorvos" NA NA NA 219 NA "8" 0.850573767933108 128.129454139 0.000279615557170436 TRUE +"Dichlorvos" NA NA NA 221 NA "8" 1 458234.353752 1 TRUE +"Dichlorvos" NA NA NA 222 NA "8" 0.129303934081555 360.408204103 0.000786515024794618 TRUE +"Fluopyram" NA NA NA 130 NA "2" 0.988179415765439 17795.909718935 0.0154226372206749 TRUE +"Fluopyram" NA NA NA 145 NA "2" 0.928241190042729 3449.545446807 0.00298951213186528 TRUE +"Fluopyram" NA NA NA 150 NA "2" 0.988115406284376 12058.53886978 0.0104504053648994 TRUE +"Fluopyram" NA NA NA 152 NA "2" 0.714803770971941 843.962879701 0.000731411516855211 TRUE +"Fluopyram" NA NA NA 170 NA "2" 0.996118661695746 54335.19384732 0.0470890219301705 TRUE +"Fluopyram" NA NA NA 172 NA "2" 0.93623116209915 4358.1586747 0.00377695219022824 TRUE +"Fluopyram" NA NA NA 173 NA "2" 0.996725515129425 33891.795142293 0.0293719663390324 TRUE +"Fluopyram" NA NA NA 190 NA "2" 0.994751234429169 52936.742621562 0.0458770689439894 TRUE +"Fluopyram" NA NA NA 208 NA "2" 0.998926992897114 741312.313808205 0.642450487985915 TRUE +"Fluopyram" NA NA NA 209 NA "2" 0.479662731083597 434.75375842 0.000376774753431255 TRUE +"Fluopyram" NA NA NA 223 NA "2" 0.919762443227137 180.747808449 0.000156643179369186 TRUE +"Fluopyram" NA NA NA 233 NA "2" 0.447788622500763 228.889230719 0.000198364434572427 TRUE +"Fluopyram" NA NA NA 239 NA "2" 0.490523688542752 454.236178877 0.000393658987372342 TRUE +"Fluopyram" NA NA NA 251 NA "2" 0.399282659683872 207.703212752 0.000180003795840478 TRUE +"Fluopyram" NA NA NA 253 NA "2" 0.291997563579388 381.209336282 0.000330371045451865 TRUE +"Fluopyram" NA NA NA 277 NA "2" 0.472534154830253 407.468348983 0.000353128141495666 TRUE +"Fluopyram" NA NA NA 293 NA "2" 0.439013773646497 230.165272235 0.000199470302476379 TRUE +"Fluopyram" NA NA NA 295 NA "2" 0.556087836877115 396.002507198 0.000343191390799996 TRUE +"Fluopyram" NA NA NA 297 NA "2" 0.269891270141561 261.36091041 0.000226505672853008 TRUE +"Fluopyram" NA NA NA 305 NA "2" 0.13304535194746 151.392195691 0.000131202447588246 TRUE +"Fluopyram" NA NA NA 307 NA "2" 0.658489317811748 176.850197312 0.000153265355838801 TRUE +"Fluopyram" NA NA NA 309 NA "2" 0.620367265623824 877.951049335 0.0007608670051297 TRUE +"Fluopyram" NA NA NA 312 NA "2" -0.101202655215579 313.370437142 0.000271579179938356 FALSE +"Fluopyram" NA NA NA 315 NA "2" -0.0918425876545814 1665.552336677 0.00144343334318478 FALSE +"Fluopyram" NA NA NA 317 NA "2" 0.747044352703202 276.576972023 0.000239692511957673 TRUE +"Fluopyram" NA NA NA 319 NA "2" 0.411135022271651 205.162689204 0.000177802077937308 TRUE +"Fluopyram" NA NA NA 321 NA "2" 0.668663039963109 172.5105753 0.000149504468251542 TRUE +"Fluopyram" NA NA NA 322 NA "2" 0.457450301072192 363.92931174 0.000315395494671673 TRUE +"Fluopyram" NA NA NA 323 NA "2" 0.525525654158042 541.443225855 0.000469236053668481 TRUE +"Fluopyram" NA NA NA 325 NA "2" -0.375139543472427 284.063552627 0.000246180677974607 FALSE +"Fluopyram" NA NA NA 335 NA "2" 0.85099649332553 354.179540117 0.000306945958059 TRUE +"Fluopyram" NA NA NA 337 NA "2" -0.0800505936255548 6092.33305747 0.00527985610496276 FALSE +"Fluopyram" NA NA NA 339 NA "2" 0.0817418256376614 1257.39245224 0.001089705889791 TRUE +"Fluopyram" NA NA NA 351 NA "2" 0.0922108519959764 325.871292118 0.000282412913885544 TRUE +"Fluopyram" NA NA NA 353 NA "2" 0.73819712073071 219.68107702 0.000190384285413725 TRUE +"Fluopyram" NA NA NA 355 NA "2" 0.558938657015514 404.386810763 0.0003504575589405 TRUE +"Fluopyram" NA NA NA 357 NA "2" 0.962259996620823 6087.032030074 0.00527526202555257 TRUE +"Fluopyram" NA NA NA 361 NA "2" 0.552153478272702 857.635546693 0.000743260789310912 TRUE +"Fluopyram" NA NA NA 365 NA "2" -0.00936270431495669 3128.58431621 0.00271135455760717 FALSE +"Fluopyram" NA NA NA 377 NA "2" 0.95522089194523 6353.409628619 0.00550611535819805 TRUE +"Fluopyram" NA NA NA 379 NA "2" 0.976200924337964 23757.38885012 0.0205890901523317 TRUE +"Fluopyram" NA NA NA 380 NA "2" 0.802086185702225 299.634428489 0.000259675013101082 TRUE +"Fluopyram" NA NA NA 383 NA "2" 0.514484227137365 296.36061955 0.000256837801157807 TRUE +"Fluopyram" NA NA NA 397 NA "2" 1 1153882.4044359 1 TRUE +"Fluopyram" NA NA NA 398 NA "2" 0.629183355208795 786.96763037 0.000682017185932154 TRUE +"Hydroxy-tebuconazole" NA NA NA 105 NA "3" 0.933250800122397 148.864868642 0.000349259198550838 TRUE +"Hydroxy-tebuconazole" NA NA NA 111 NA "3" -0.136986211620653 819.476129504 0.00192261329911496 FALSE +"Hydroxy-tebuconazole" NA NA NA 125 NA "3" 0.937808762193969 1183.686924417 0.00277710617910255 TRUE +"Hydroxy-tebuconazole" NA NA NA 129 NA "3" 0.93947878913899 361.506768723 0.000848148830994743 TRUE +"Hydroxy-tebuconazole" NA NA NA 130 NA "3" 0.688489556152789 331.007312771 0.000776592555567199 TRUE +"Hydroxy-tebuconazole" NA NA NA 139 NA "3" 0.773254709339752 1538.894389073 0.00361047590264274 TRUE +"Hydroxy-tebuconazole" NA NA NA 142 NA "3" 0.570848007480712 609.52418229 0.00143003469754783 TRUE +"Hydroxy-tebuconazole" NA NA NA 143 NA "3" 0.806393964441417 697.26483626 0.00163588736624957 TRUE +"Hydroxy-tebuconazole" NA NA NA 144 NA "3" 0.617078750669289 821.504440261 0.00192737201885766 TRUE +"Hydroxy-tebuconazole" NA NA NA 151 NA "3" 0.969913176100367 8918.60934376 0.020924388541131 TRUE +"Hydroxy-tebuconazole" NA NA NA 163 NA "3" 0.943479253411026 4190.003754782 0.00983037412836093 TRUE +"Hydroxy-tebuconazole" NA NA NA 165 NA "3" 0.974027692942281 11141.070391724 0.0261386138415883 TRUE +"Hydroxy-tebuconazole" NA NA NA 177 NA "3" 0.976181868104272 5276.840125508 0.0123802544544473 TRUE +"Hydroxy-tebuconazole" NA NA NA 179 NA "3" 0.985734009124796 18898.49200271 0.0443386826650093 TRUE +"Hydroxy-tebuconazole" NA NA NA 181 NA "3" 0.815011717512525 2102.659529777 0.00493315305951243 TRUE +"Hydroxy-tebuconazole" NA NA NA 183 NA "3" 0.629817289150805 328.86962314 0.000771577216662296 TRUE +"Hydroxy-tebuconazole" NA NA NA 191 NA "3" 0.627994719460226 789.382863066 0.00185201000490732 TRUE +"Hydroxy-tebuconazole" NA NA NA 193 NA "3" 0.834581905027916 786.770006146 0.00184587985262806 TRUE +"Hydroxy-tebuconazole" NA NA NA 207 NA "3" 0.912806973260801 1817.33848199 0.00426374729985384 TRUE +"Hydroxy-tebuconazole" NA NA NA 213 NA "3" 0.533276651096227 209.824030864 0.000492278490719679 TRUE +"Hydroxy-tebuconazole" NA NA NA 219 NA "3" 0.973387546070147 5785.704654759 0.0135741265834354 TRUE +"Hydroxy-tebuconazole" NA NA NA 225 NA "3" 0.158710766132164 598.46658039 0.00140409191324474 TRUE +"Hydroxy-tebuconazole" NA NA NA 234 NA "3" 0.533892369953371 498.037124195 0.00116846942083577 TRUE +"Hydroxy-tebuconazole" NA NA NA 236 NA "3" 0.757916887845443 401.455109619 0.000941873600660352 TRUE +"Hydroxy-tebuconazole" NA NA NA 237 NA "3" 0.819617372910582 1804.698136231 0.00423409116224753 TRUE +"Hydroxy-tebuconazole" NA NA NA 242 NA "3" 0.0281666681525705 492.2943644595 0.00115499604944205 TRUE +"Hydroxy-tebuconazole" NA NA NA 249 NA "3" 0.148844380563395 668.821608301 0.00156915530856678 TRUE +"Hydroxy-tebuconazole" NA NA NA 251 NA "3" -0.0957358039667109 294.37336396 0.000690643844375629 FALSE +"Hydroxy-tebuconazole" NA NA NA 252 NA "3" 0.571270701114537 262.84086132 0.000616663887245291 TRUE +"Hydroxy-tebuconazole" NA NA NA 261 NA "3" 0.307249106849353 301.249457372 0.000706776185714076 TRUE +"Hydroxy-tebuconazole" NA NA NA 262 NA "3" -0.0664296147654578 356.3203392 0.000835980693306733 FALSE +"Hydroxy-tebuconazole" NA NA NA 264 NA "3" -0.234448577231542 1060.76663015 0.00248871682402531 FALSE +"Hydroxy-tebuconazole" NA NA NA 266 NA "3" 0.442854013871549 224.958957681 0.000527787287781417 TRUE +"Hydroxy-tebuconazole" NA NA NA 268 NA "3" 0.333877814717464 167.482578998 0.00039293912556858 TRUE +"Hydroxy-tebuconazole" NA NA NA 276 NA "3" 0.814390714374443 472.387895585 0.00110829250260451 TRUE +"Hydroxy-tebuconazole" NA NA NA 278 NA "3" 0.275231308762053 379.986748698 0.000891505621983662 TRUE +"Hydroxy-tebuconazole" NA NA NA 280 NA "3" 0.650641022624376 416.402436187 0.000976942259540319 TRUE +"Hydroxy-tebuconazole" NA NA NA 282 NA "3" 0.782140125615591 155.801819332 0.000365534320145864 TRUE +"Hydroxy-tebuconazole" NA NA NA 288 NA "3" 0.702501554923525 901.789572159 0.00211573292011017 TRUE +"Hydroxy-tebuconazole" NA NA NA 292 NA "3" -0.282700274468723 1574.001168335 0.00369284164615631 FALSE +"Hydroxy-tebuconazole" NA NA NA 296 NA "3" -0.00403563274731662 354.472442154 0.000831645251055126 TRUE +"Hydroxy-tebuconazole" NA NA NA 306 NA "3" 0.939487898745732 6832.34144213 0.0160296926875516 TRUE +"Hydroxy-tebuconazole" NA NA NA 307 NA "3" 0.647420935806109 170.978830823 0.000401141854133558 TRUE +"Hydroxy-tebuconazole" NA NA NA 324 NA "3" 1 426230.3448547 1 TRUE +"Hydroxy-tebuconazole" NA NA NA 325 NA "3" 0.526687588803207 740.769098256 0.0017379548575044 TRUE +"Isoproturon" NA NA NA 72 NA "2" 0.993086605464471 59907.1442268 0.115787147683237 TRUE +"Isoproturon" NA NA NA 120 NA "2" 0.927282017838371 790.062006494 0.00152701363761405 TRUE +"Isoproturon" NA NA NA 134 NA "2" 0.71269989274101 432.2311039 0.000835406315999436 TRUE +"Isoproturon" NA NA NA 137 NA "2" 0.213034502535958 770.65881154 0.00148951158959186 TRUE +"Isoproturon" NA NA NA 147 NA "2" -0.543816345969317 1151.6802063 0.00222594095999428 FALSE +"Isoproturon" NA NA NA 149 NA "2" 0.500520723996853 390.29506684 0.000754353310068573 TRUE +"Isoproturon" NA NA NA 161 NA "2" 0.400505614578046 614.84665681 0.00118836144792821 TRUE +"Isoproturon" NA NA NA 162 NA "2" 0.804730923860733 2048.22309885 0.00395875840011529 TRUE +"Isoproturon" NA NA NA 165 NA "2" 0.985177338187729 41795.7801207 0.0807819205510825 TRUE +"Isoproturon" NA NA NA 174 NA "2" -0.672244697055266 2538.22496785 0.00490582271945875 FALSE +"Isoproturon" NA NA NA 175 NA "2" -0.891117335203028 41310.6113296 0.0798441974933163 FALSE +"Isoproturon" NA NA NA 179 NA "2" 0.106337033555785 305.46005153 0.000590386147667693 TRUE +"Isoproturon" NA NA NA 189 NA "2" -0.557815616548336 2256.78026215 0.00436185287873026 FALSE +"Isoproturon" NA NA NA 193 NA "2" -0.457037805653279 900.73918538 0.00174092793819098 FALSE +"Isoproturon" NA NA NA 207 NA "2" 1 517390.275393 1 TRUE +"Malathion dicarboxilic acid" NA NA NA 99 NA "5" 0.0390122357382497 146.313006405 0.00728513388971739 TRUE +"Malathion dicarboxilic acid" NA NA NA 101 NA "5" -0.00307888841729598 435.762945656 0.0216972604232751 TRUE +"Malathion dicarboxilic acid" NA NA NA 105 NA "5" 0.592401757892981 89.451040273 0.00445389525494049 TRUE +"Malathion dicarboxilic acid" NA NA NA 111 NA "5" 0.238541386362055 129.625732421 0.00645425064690212 TRUE +"Malathion dicarboxilic acid" NA NA NA 113 NA "5" -0.181700362244182 214.697242755 0.0106900828412605 FALSE +"Malathion dicarboxilic acid" NA NA NA 115 NA "5" -0.231992590984375 169.733005041 0.00845124912412097 FALSE +"Malathion dicarboxilic acid" NA NA NA 125 NA "5" -0.250900317999769 976.859200016 0.0486392169662613 FALSE +"Malathion dicarboxilic acid" NA NA NA 127 NA "5" -0.120496404762161 251.457530026 0.0125204301300888 FALSE +"Malathion dicarboxilic acid" NA NA NA 133 NA "5" -0.00480587756063445 106.381536014 0.00529688885696561 TRUE +"Malathion dicarboxilic acid" NA NA NA 135 NA "5" -0.090209154235706 265.367501262 0.0132130274961485 FALSE +"Malathion dicarboxilic acid" NA NA NA 143 NA "5" -0.131857430656449 2027.15360119 0.100934877647263 FALSE +"Malathion dicarboxilic acid" NA NA NA 145 NA "5" -0.00327881805976476 340.208190446 0.0169394524702548 TRUE +"Malathion dicarboxilic acid" NA NA NA 155 NA "5" -0.103996527690727 89.39838505 0.00445127347606401 FALSE +"Malathion dicarboxilic acid" NA NA NA 157 NA "5" 0.0930278278084389 283.279369826 0.014104885054885 TRUE +"Malathion dicarboxilic acid" NA NA NA 159 NA "5" -0.0612368257690917 11570.4075283 0.576107142306516 FALSE +"Malathion dicarboxilic acid" NA NA NA 171 NA "5" -0.19710660695736 343.725625045 0.0171145905706306 FALSE +"Malathion dicarboxilic acid" NA NA NA 173 NA "5" 0.0378284550947032 276.705667733 0.0137775710239911 TRUE +"Malathion dicarboxilic acid" NA NA NA 174 NA "5" -0.540544488822746 145.849533325 0.00726205690206577 FALSE +"Malathion dicarboxilic acid" NA NA NA 175 NA "5" 0.184070758387235 1172.409335654 0.0583759379542223 TRUE +"Malathion dicarboxilic acid" NA NA NA 177 NA "5" -0.140789116062933 180.05658699 0.00896527503724966 FALSE +"Malathion dicarboxilic acid" NA NA NA 183 NA "5" -0.260101643573225 92.657263754 0.00461353770856342 FALSE +"Malathion dicarboxilic acid" NA NA NA 185 NA "5" 0.435155306012117 212.018755439 0.0105567171262197 TRUE +"Malathion dicarboxilic acid" NA NA NA 187 NA "5" -0.0466843753550633 941.066299451 0.0468570372453718 FALSE +"Malathion dicarboxilic acid" NA NA NA 189 NA "5" -0.395771460619492 146.580297463 0.00729844269385517 FALSE +"Malathion dicarboxilic acid" NA NA NA 190 NA "5" -0.103737669048405 148.989129555 0.0074183818895511 FALSE +"Malathion dicarboxilic acid" NA NA NA 193 NA "5" -0.153009009646862 1596.369196382 0.0794855058946147 FALSE +"Malathion dicarboxilic acid" NA NA NA 197 NA "5" -0.244011968974358 179.884572989 0.00895671021407378 FALSE +"Malathion dicarboxilic acid" NA NA NA 199 NA "5" 0.150914124088504 276.667024113 0.0137756469028716 TRUE +"Malathion dicarboxilic acid" NA NA NA 201 NA "5" -0.10556131251179 239.864170096 0.0119431801548682 FALSE +"Malathion dicarboxilic acid" NA NA NA 203 NA "5" -0.0442733202671276 1407.858670707 0.0700992971568763 FALSE +"Malathion dicarboxilic acid" NA NA NA 205 NA "5" -0.206299059029665 130.40357304 0.00649298044402344 FALSE +"Malathion dicarboxilic acid" NA NA NA 213 NA "5" 0.034041946036616 282.143243319 0.0140483156908721 TRUE +"Malathion dicarboxilic acid" NA NA NA 215 NA "5" -0.0174569064315414 4632.372268515 0.23065244185969 FALSE +"Malathion dicarboxilic acid" NA NA NA 216 NA "5" 0.11460473836849 152.968408575 0.00761651588431708 TRUE +"Malathion dicarboxilic acid" NA NA NA 217 NA "5" -0.0749466491463488 149.235903278 0.00743066910622917 FALSE +"Malathion dicarboxilic acid" NA NA NA 219 NA "5" -0.229702200918307 275.246332175 0.0137049086189782 FALSE +"Malathion dicarboxilic acid" NA NA NA 229 NA "5" -0.0736331507746074 508.844859597 0.0253361134621037 FALSE +"Malathion dicarboxilic acid" NA NA NA 231 NA "5" -0.398924747325029 548.515546309 0.027311373702427 FALSE +"Malathion dicarboxilic acid" NA NA NA 233 NA "5" -0.0593443075085707 5883.46527449 0.292946152316215 FALSE +"Malathion dicarboxilic acid" NA NA NA 239 NA "5" -0.250539714331339 289.00519777 0.0143899822190159 FALSE +"Malathion dicarboxilic acid" NA NA NA 243 NA "5" -0.0531886469417714 3332.41069708 0.165925495622409 FALSE +"Malathion dicarboxilic acid" NA NA NA 245 NA "5" -0.230543139716182 369.79291249 0.0184125181017819 FALSE +"Malathion dicarboxilic acid" NA NA NA 247 NA "5" -0.0791167715438849 453.035788533 0.0225572999789294 FALSE +"Malathion dicarboxilic acid" NA NA NA 257 NA "5" 0.106470337603423 20083.7772675 1 TRUE +"Malathion dicarboxilic acid" NA NA NA 261 NA "5" 0.355868386838636 138.486630433 0.00689544743443765 TRUE +"Malathion dicarboxilic acid" NA NA NA 275 NA "5" 1 7538.973325 0.375376266356017 TRUE +"Methamidophos" NA NA NA 94 NA "10" 0.976908842717177 9354.73397623 0.0482149771671354 TRUE +"Methamidophos" NA NA NA 100 NA "10" 0.513584871583348 164.780854231 0.000849292469942643 TRUE +"Methamidophos" NA NA NA 110 NA "10" 0.284212959905891 434.336410282 0.0022386013496283 TRUE +"Methamidophos" NA NA NA 112 NA "10" 0.703154152581651 915.166019881 0.00471683201946947 TRUE +"Methamidophos" NA NA NA 114 NA "10" -0.0808744594898649 205.122636803 0.00105721694225077 FALSE +"Methamidophos" NA NA NA 124 NA "10" -0.178837358040908 522.942952646 0.00269528589328229 FALSE +"Methamidophos" NA NA NA 125 NA "10" 0.944616104231969 4800.928386691 0.0247443329904978 TRUE +"Methamidophos" NA NA NA 142 NA "10" 1 194021.3295923 1 TRUE +"Methamidophos" NA NA NA 143 NA "10" 0.462998313752461 215.166582594 0.0011089841670817 TRUE +"Metolachlor" NA NA NA 176 NA "2" 0.791796112912307 995.27586705 0.00140948787866654 TRUE +"Metolachlor" NA NA NA 196 NA "2" 0.390316117761383 165.330739505 0.000234137771263337 TRUE +"Metolachlor" NA NA NA 212 NA "2" 0.793947617278503 3303.57566825 0.00467845148748308 TRUE +"Metolachlor" NA NA NA 220 NA "2" 0.784265545338331 134.73387814 0.000190807166506454 TRUE +"Metolachlor" NA NA NA 222 NA "2" 0.837765555939223 149.329081531 0.000211476573800797 TRUE +"Metolachlor" NA NA NA 224 NA "2" 0.333881608192525 1240.410666011 0.0017566424106045 TRUE +"Metolachlor" NA NA NA 238 NA "2" 0.0957538782410419 278.464510935 0.000394355339856714 TRUE +"Metolachlor" NA NA NA 240 NA "2" 0.702714684679668 309.572997085 0.000438410496425569 TRUE +"Metolachlor" NA NA NA 241 NA "2" 0.310895385493475 198.540365455 0.000281168515985718 TRUE +"Metolachlor" NA NA NA 243 NA "2" 0.131240121206885 350.776814924 0.000496762440566436 TRUE +"Metolachlor" NA NA NA 248 NA "2" 0.61859332075056 330.1702237165 0.000467579837542316 TRUE +"Metolachlor" NA NA NA 252 NA "2" 0.917041451436126 706125.8788487 1 TRUE +"Metolachlor" NA NA NA 253 NA "2" 0.855704337813672 610.27153687 0.000864253180842224 TRUE +"Metolachlor" NA NA NA 256 NA "2" 0.912087870841402 160.856989391 0.000227802144361666 TRUE +"Metolachlor" NA NA NA 266 NA "2" -0.228646021214337 2686.12464523 0.00380403087564158 FALSE +"Metolachlor" NA NA NA 267 NA "2" -0.172706372060116 90.919785974 0.000128758609048913 FALSE +"Metolachlor" NA NA NA 284 NA "2" 1 27717.1231987 0.0392523826543382 TRUE +"Metolachlor" NA NA NA 285 NA "2" 0.516690728602645 786.727229625 0.00111414586717558 TRUE +"Metolachlor" NA NA NA 105 NA "6" 0.147510907385547 67.732931137 0.000302088164521329 TRUE +"Metolachlor" NA NA NA 212 NA "6" 0.56820247221881 1215.116215726 0.00541940561447594 TRUE +"Metolachlor" NA NA NA 224 NA "6" -0.111227845735124 339.173356055 0.00151270962093686 FALSE +"Metolachlor" NA NA NA 252 NA "6" 0.993045070992658 224215.7723866 1 TRUE +"Metolachlor" NA NA NA 266 NA "6" -0.146787460104817 628.791106722 0.00280440176009482 FALSE +"Metolachlor" NA NA NA 284 NA "6" 1 155026.670419 0.691417328802802 TRUE +"Metolachlor" NA NA NA 285 NA "6" 0.118321686070868 459.575310689 0.00204970107944318 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 72 NA "1" 0.831213054372806 1933.43451305 0.00181816864864583 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 91 NA "1" 0.822308544953969 1277.57458017 0.00120140921882462 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 100 NA "1" 0.904831380805312 4819.97843154 0.0045326250318924 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 119 NA "1" 0.996276922706082 196757.537712 0.185027413154208 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 159 NA "1" 0.318506076968014 5745.2918091 0.00540277385870641 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 160 NA "1" -0.60812844929883 81418.296387 0.076564369218524 FALSE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 174 NA "1" -0.0254778159834255 6464.1887357 0.00607881219604324 FALSE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 178 NA "1" 0.189033868824133 1156.2770652 0.00108734311656538 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 192 NA "1" 1 1063396.68462 1 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 193 NA "1" 0.843516913487705 669.860601479 0.000629925418394897 TRUE +"Nigericin" NA NA NA 303 NA "8" 0.69388156788724 256.771903521 2.6267948084131e-05 TRUE +"Nigericin" NA NA NA 345 NA "8" 0.488441108859454 170.187350269 1.74102867959473e-05 TRUE +"Nigericin" NA NA NA 361 NA "8" -0.298158261851774 270.481686601 2.76704686296107e-05 FALSE +"Nigericin" NA NA NA 377 NA "8" 0.921913240362568 212.930380819 2.17829291764015e-05 TRUE +"Nigericin" NA NA NA 399 NA "8" -0.00219607480717936 155.459186543 1.59035851871495e-05 TRUE +"Nigericin" NA NA NA 419 NA "8" -0.128312924215981 334.087566385 3.41773953030539e-05 FALSE +"Nigericin" NA NA NA 485 NA "8" -0.153312907002539 192.458596704 1.96886511228122e-05 FALSE +"Nigericin" NA NA NA 491 NA "8" -0.422922944471844 124.569573874 1.27435558739663e-05 FALSE +"Nigericin" NA NA NA 501 NA "8" 0.330721867433802 1962.279740704 0.000200742611043264 TRUE +"Nigericin" NA NA NA 502 NA "8" 0.746783956260905 200.27525187 2.04883004975159e-05 TRUE +"Nigericin" NA NA NA 507 NA "8" -0.354836880533629 218.69433498 2.23725857805091e-05 FALSE +"Nigericin" NA NA NA 509 NA "8" -0.728921794848418 199.1876421 2.03770372456477e-05 FALSE +"Nigericin" NA NA NA 523 NA "8" 0.0880948030696946 240.14782524 2.45672930699186e-05 TRUE +"Nigericin" NA NA NA 525 NA "8" 0.117962948439402 576.361316696 5.89621720175225e-05 TRUE +"Nigericin" NA NA NA 559 NA "8" 0.84810344800213 103.529180519 1.05911086913109e-05 TRUE +"Nigericin" NA NA NA 567 NA "8" -0.752351991905382 249.41364288 2.55151927948768e-05 FALSE +"Nigericin" NA NA NA 568 NA "8" -0.532840101817629 259.228322029 2.65192414419954e-05 FALSE +"Nigericin" NA NA NA 573 NA "8" 0.244836394250901 221.88957263 2.26994608612938e-05 TRUE +"Nigericin" NA NA NA 580 NA "8" 0.992118727855313 194.64446546 1.99122670489084e-05 TRUE +"Nigericin" NA NA NA 583 NA "8" -0.188987118257525 7100.821918505 0.000726419125115431 FALSE +"Nigericin" NA NA NA 589 NA "8" -0.259152968299446 295.832520469 3.0263876937929e-05 FALSE +"Nigericin" NA NA NA 597 NA "8" -0.0565070203738975 733.689611459 7.50569683029789e-05 FALSE +"Nigericin" NA NA NA 599 NA "8" 0.972283168725802 643.235493679 6.58034478154985e-05 TRUE +"Nigericin" NA NA NA 605 NA "8" 0.429575707714564 667.355635634 6.82709554671057e-05 TRUE +"Nigericin" NA NA NA 607 NA "8" 0.386766245051255 160.19072342 1.63876247699032e-05 TRUE +"Nigericin" NA NA NA 641 NA "8" -0.367379921280677 128.127842899 1.31075693222306e-05 FALSE +"Nigericin" NA NA NA 643 NA "8" -0.327136371457191 200.36151887 2.04971256728809e-05 FALSE +"Nigericin" NA NA NA 649 NA "8" 0.0943387745709055 318.911627299 3.26248859569277e-05 TRUE +"Nigericin" NA NA NA 659 NA "8" -0.44098780723767 191.511249542 1.95917368353539e-05 FALSE +"Nigericin" NA NA NA 662 NA "8" 0.545210082812083 564.714775576 5.77707225898213e-05 TRUE +"Nigericin" NA NA NA 663 NA "8" 0.781327728555262 298.1920786 3.05052614104381e-05 TRUE +"Nigericin" NA NA NA 665 NA "8" 0.175836851592496 7548.058466541 0.000772171741597377 TRUE +"Nigericin" NA NA NA 666 NA "8" 0.677134729766668 281.057827949 2.87524154004613e-05 TRUE +"Nigericin" NA NA NA 669 NA "8" 0.492874926182605 356.941339497 3.65153525226741e-05 TRUE +"Nigericin" NA NA NA 673 NA "8" 0.468263078612871 302.894679066 3.09863407777965e-05 TRUE +"Nigericin" NA NA NA 686 NA "8" 0.979254974248858 2607.612306107 0.000266760590785424 TRUE +"Nigericin" NA NA NA 687 NA "8" 0.115882523363508 3219.00846012 0.00032930685154147 TRUE +"Nigericin" NA NA NA 688 NA "8" -0.0312413984218769 432.271391383 4.4221670328409e-05 FALSE +"Nigericin" NA NA NA 689 NA "8" 0.303565798366849 331.674744123 3.39305618721164e-05 TRUE +"Nigericin" NA NA NA 690 NA "8" 0.917857589616908 218.260694507 2.2328224052159e-05 TRUE +"Nigericin" NA NA NA 698 NA "8" 0.996559990627632 785.784382825 8.03863004103169e-05 TRUE +"Nigericin" NA NA NA 701 NA "8" -0.762539621315271 315.705478664 3.22968946746288e-05 FALSE +"Nigericin" NA NA NA 703 NA "8" 0.888427798130252 2052.161657913 0.000209937595005967 TRUE +"Nigericin" NA NA NA 704 NA "8" 0.976064645824982 20306.616162854 0.00207738125478592 TRUE +"Nigericin" NA NA NA 705 NA "8" 0.460902244572369 318.047350886 3.25364698660871e-05 TRUE +"Nigericin" NA NA NA 706 NA "8" -0.0507438235593349 253.04758263 2.58869474120484e-05 FALSE +"Nigericin" NA NA NA 711 NA "8" 0.582341602837042 280.26337147 2.86711419384535e-05 TRUE +"Nigericin" NA NA NA 715 NA "8" 0.228528344235473 1563.55045611 0.000159952322060259 TRUE +"Nigericin" NA NA NA 716 NA "8" 0.996781845725518 2603.190510313 0.000266308237935432 TRUE +"Nigericin" NA NA NA 717 NA "8" 0.107960596669131 379.933180811 3.88674342174119e-05 TRUE +"Nigericin" NA NA NA 729 NA "8" 0.999145606196272 21682.60615534 0.002218146008216 TRUE +"Nigericin" NA NA NA 730 NA "8" 0.955282483269449 859696.24143705 0.0879475360369561 TRUE +"Nigericin" NA NA NA 731 NA "8" 0.874035041277187 1660.164900783 0.000169836048363826 TRUE +"Nigericin" NA NA NA 732 NA "8" -0.745052004293459 456.192295545 4.66687958122979e-05 FALSE +"Nigericin" NA NA NA 738 NA "8" -0.369885793196866 289.26318264 2.95918290126186e-05 FALSE +"Nigericin" NA NA NA 747 NA "8" 1 3244089.5208734 0.331872661868578 TRUE +"Nigericin" NA NA NA 748 NA "8" -0.0779329807538978 9775103.20557247 1 FALSE +"Nigericin" NA NA NA 749 NA "8" 0.660672365160515 19038.053184765 0.00194760636122103 TRUE +"Omethoate" NA NA NA 88 NA "2" 0.837631756199775 429.379247656 0.00784836708858288 TRUE +"Omethoate" NA NA NA 125 NA "2" 0.548807659284321 307.230954691 0.00561569131846479 TRUE +"Omethoate" NA NA NA 141 NA "2" 0.233106246919951 2547.8089448 0.0465698796099839 TRUE +"Omethoate" NA NA NA 154 NA "2" 0.523937302026516 1394.67151636 0.0254923685486383 TRUE +"Omethoate" NA NA NA 155 NA "2" 0.872926704493106 3686.16078187 0.0673771336681627 TRUE +"Omethoate" NA NA NA 158 NA "2" -0.123269295641998 5749.6453247 0.10509433649563 FALSE +"Omethoate" NA NA NA 172 NA "2" -0.631790695963711 180.908488267 0.0033067183221149 FALSE +"Omethoate" NA NA NA 173 NA "2" 0.562650313404861 570.920797354 0.0104355206279798 TRUE +"Omethoate" NA NA NA 182 NA "2" 0.211300127108905 2353.4972763 0.0430181725530914 TRUE +"Omethoate" NA NA NA 183 NA "2" 0.989920907401226 54709.3736582 1 TRUE +"Omethoate" NA NA NA 196 NA "2" 0.964719396165272 12714.1094668 0.232393621360613 TRUE +"Omethoate" NA NA NA 214 NA "2" 1 20372.4348769 0.37237558236689 TRUE +"Prochloraz" NA NA NA 202 NA "1" 0.110771379792084 320.311538685 0.00111224181016321 TRUE +"Prochloraz" NA NA NA 238 NA "1" 0.362075322645066 257.66075992 0.000894694806181419 TRUE +"Prochloraz" NA NA NA 244 NA "1" 0.116711108766966 894.255809314 0.00310519160247456 TRUE +"Prochloraz" NA NA NA 245 NA "1" -0.33165515456703 179.53681564 0.000623419167595921 FALSE +"Prochloraz" NA NA NA 266 NA "1" 0.187426096999297 6848.746319913 0.0237814161659027 TRUE +"Prochloraz" NA NA NA 280 NA "1" 0.197004643465757 2133.000283721 0.00740657706676483 TRUE +"Prochloraz" NA NA NA 291 NA "1" -0.478570735237658 389.368725297 0.00135203426521318 FALSE +"Prochloraz" NA NA NA 294 NA "1" -0.0104641890032387 1008.16582397 0.00350072990064777 FALSE +"Prochloraz" NA NA NA 303 NA "1" 0.726379019581865 206.674549112 0.000717651557489022 TRUE +"Prochloraz" NA NA NA 308 NA "1" 0.213578908908872 287987.3205252 1 TRUE +"Prochloraz" NA NA NA 310 NA "1" -0.104795573407594 261.194522859 0.000906965356608971 FALSE +"Prochloraz" NA NA NA 315 NA "1" -0.719137147882456 338.202372563 0.00117436549618304 FALSE +"Prochloraz" NA NA NA 316 NA "1" -0.414325790160877 2865.441486445 0.00994988765900984 FALSE +"Prochloraz" NA NA NA 318 NA "1" -0.0146190767976322 199.611021524 0.000693124340196544 FALSE +"Prochloraz" NA NA NA 330 NA "1" -0.100952287856643 276.492937091 0.000960087189209449 FALSE +"Prochloraz" NA NA NA 332 NA "1" 0.0730849767291783 376.843055239 0.00130854044043243 TRUE +"Prochloraz" NA NA NA 334 NA "1" 0.256923538184557 113.467085369 0.000394000281547365 TRUE +"Prochloraz" NA NA NA 335 NA "1" -0.432559277132849 215.835879809 0.000749463134055284 FALSE +"Prochloraz" NA NA NA 340 NA "1" 0.164051069587271 381.260290641 0.00132387873863925 TRUE +"Prochloraz" NA NA NA 344 NA "1" 0.0951799660822054 1388.246995462 0.00482051429531782 TRUE +"Prochloraz" NA NA NA 358 NA "1" -0.338701570029738 811.082062751 0.00281638115619756 FALSE +"Prochloraz" NA NA NA 359 NA "1" 0.0947541243923221 228.147804732 0.000792214755552185 TRUE +"Prochloraz" NA NA NA 376 NA "1" 1 10308.57720772 0.035795246780033 TRUE +"Prochloraz" NA NA NA 377 NA "1" -0.0914354549210393 369.333282477 0.00128246369251066 FALSE +"Prochloraz" NA NA NA 136 NA "7" 0.944908525655583 143.928166396 0.000949178809656671 TRUE +"Prochloraz" NA NA NA 202 NA "7" 0.227219474826345 394.165222649 0.00259944447435434 TRUE +"Prochloraz" NA NA NA 233 NA "7" -0.160181971496585 190.591785906 0.00125691648137069 FALSE +"Prochloraz" NA NA NA 234 NA "7" -0.215390395430049 278.200731283 0.00183468076872653 FALSE +"Prochloraz" NA NA NA 238 NA "7" 0.171437804200547 205.77438355 0.00135704281744572 TRUE +"Prochloraz" NA NA NA 244 NA "7" -0.0722661579933315 872.686310784 0.0057551997945598 FALSE +"Prochloraz" NA NA NA 266 NA "7" -0.248405378950945 4327.34904575 0.0285380417125085 FALSE +"Prochloraz" NA NA NA 280 NA "7" -0.310554448197158 1298.919650077 0.00856612738265254 FALSE +"Prochloraz" NA NA NA 293 NA "7" 0.749156351291992 200.444505207 0.00132189328620453 TRUE +"Prochloraz" NA NA NA 294 NA "7" 0.368691768696427 1575.694126647 0.0103914022735398 TRUE +"Prochloraz" NA NA NA 304 NA "7" -0.0471320285371403 809.598223213 0.00533914588820071 FALSE +"Prochloraz" NA NA NA 308 NA "7" -0.181127485034532 151634.4074812 1 FALSE +"Prochloraz" NA NA NA 310 NA "7" 0.972222645802573 105.641312124 0.000696684307201831 TRUE +"Prochloraz" NA NA NA 315 NA "7" 0.245209450661914 440.677309527 0.00290618281725825 TRUE +"Prochloraz" NA NA NA 316 NA "7" 0.0468248391732196 2305.138855487 0.0152019511519692 TRUE +"Prochloraz" NA NA NA 334 NA "7" -0.117192670406485 201.20180177 0.00132688751261778 FALSE +"Prochloraz" NA NA NA 344 NA "7" 0.0172168957967989 697.322455414 0.0045987086110417 TRUE +"Prochloraz" NA NA NA 358 NA "7" -0.02670740410531 305.289077308 0.00201332324489645 FALSE +"Prochloraz" NA NA NA 360 NA "7" 0.955423389695647 135.6890707 0.000894843544772799 TRUE +"Prochloraz" NA NA NA 376 NA "7" 1 375.156909479 0.00247408827396587 TRUE +"p-Toluenesulfonamide" NA NA NA 113 NA "5" -0.366092969375946 527.826451544 0.0576739280872289 FALSE +"p-Toluenesulfonamide" NA NA NA 128 NA "5" 0.382005468968477 236.805536746 0.0258749925415739 TRUE +"p-Toluenesulfonamide" NA NA NA 129 NA "5" 0.0354255654285688 209.208140355 0.0228595122635519 TRUE +"p-Toluenesulfonamide" NA NA NA 130 NA "5" 0.343557987221976 354.06029941 0.038687049856979 TRUE +"p-Toluenesulfonamide" NA NA NA 131 NA "5" 0.504235767820085 318.10253716 0.0347580588257077 TRUE +"p-Toluenesulfonamide" NA NA NA 140 NA "5" 0.133841907512124 1235.91298662 0.135044305763544 TRUE +"p-Toluenesulfonamide" NA NA NA 144 NA "5" -0.125957159650464 305.941217187 0.033429229829895 FALSE +"p-Toluenesulfonamide" NA NA NA 155 NA "5" -0.357274519521877 9151.9074398 1 FALSE +"p-Toluenesulfonamide" NA NA NA 157 NA "5" -0.0351539509074643 2257.3347168 0.246651829866991 FALSE +"p-Toluenesulfonamide" NA NA NA 172 NA "5" 1 7086.8286743 0.774355370278403 TRUE +"Rifaximin" NA NA NA 346 NA "8" 0.728429173484556 176.740460381 0.000392943004325989 TRUE +"Rifaximin" NA NA NA 347 NA "8" 0.551480939860562 845.098484031 0.00187888804041035 TRUE +"Rifaximin" NA NA NA 348 NA "8" 0.179348753684697 167.926384926 0.00037334687290154 TRUE +"Rifaximin" NA NA NA 360 NA "8" 0.200163985279701 229.001089096 0.000509132859274702 TRUE +"Rifaximin" NA NA NA 361 NA "8" 0.700514149024748 256.791428577 0.000570918482461169 TRUE +"Rifaximin" NA NA NA 362 NA "8" 0.908194936508141 4488.974861598 0.00998023465966812 TRUE +"Rifaximin" NA NA NA 388 NA "8" 0.63244225649038 458.896043769 0.00102025302934701 TRUE +"Rifaximin" NA NA NA 456 NA "8" 0.766811495693977 248.79816724 0.000553147248204154 TRUE +"Rifaximin" NA NA NA 494 NA "8" 0.51297218010457 561.101913887 0.00124748499183791 TRUE +"Rifaximin" NA NA NA 512 NA "8" 0.562289965734367 950.848405878 0.00211399941167317 TRUE +"Rifaximin" NA NA NA 570 NA "8" 0.338156532760222 482.596581437 0.00107294589014035 TRUE +"Rifaximin" NA NA NA 622 NA "8" 0.186144048287016 595.90526104 0.0013248624738328 TRUE +"Rifaximin" NA NA NA 624 NA "8" 0.823777819004196 345.76896097 0.000768740185656059 TRUE +"Rifaximin" NA NA NA 640 NA "8" 0.305127871832912 242.34437657 0.000538798683706279 TRUE +"Rifaximin" NA NA NA 658 NA "8" 0.600134887843284 633.800680162 0.00140911448838505 TRUE +"Rifaximin" NA NA NA 672 NA "8" -0.108595525134696 256.3156743 0.000569860748909257 FALSE +"Rifaximin" NA NA NA 676 NA "8" 0.851831244395334 3521.297128727 0.00782881899200492 TRUE +"Rifaximin" NA NA NA 677 NA "8" 0.663026015501381 1354.23228747 0.00301083352644092 TRUE +"Rifaximin" NA NA NA 690 NA "8" 0.538589896436938 329.921241745 0.000733506315660688 TRUE +"Rifaximin" NA NA NA 691 NA "8" -0.143300097159239 199.258279815 0.000443006354846814 FALSE +"Rifaximin" NA NA NA 694 NA "8" 0.976250294569171 13176.79045907 0.029295655444143 TRUE +"Rifaximin" NA NA NA 695 NA "8" 0.485090629105654 2340.68678512 0.0052039951437745 TRUE +"Rifaximin" NA NA NA 701 NA "8" 0.396844712081517 259.470815652 0.000576875502176593 TRUE +"Rifaximin" NA NA NA 703 NA "8" 0.338525737242399 180.17039776 0.00040056870528574 TRUE +"Rifaximin" NA NA NA 704 NA "8" 0.184179884919558 1021.845474262 0.00227184556240179 TRUE +"Rifaximin" NA NA NA 708 NA "8" 0.161277644177134 765.49311641 0.00170190325579431 TRUE +"Rifaximin" NA NA NA 709 NA "8" 0.603627393944018 566.135319689 0.00125867564729714 TRUE +"Rifaximin" NA NA NA 718 NA "8" 0.886076915189961 1544.86607077 0.00343466523636434 TRUE +"Rifaximin" NA NA NA 719 NA "8" 0.631861760218661 625.064932854 0.00138969250212996 TRUE +"Rifaximin" NA NA NA 726 NA "8" 0.436210154679794 780.54448371 0.00173536661485384 TRUE +"Rifaximin" NA NA NA 727 NA "8" 0.683818622475658 367.037548538 0.000816026147674741 TRUE +"Rifaximin" NA NA NA 728 NA "8" 0.456657852307783 308.91019535 0.000686792939014015 TRUE +"Rifaximin" NA NA NA 736 NA "8" 0.963587972826795 20359.23705387 0.0452642239161706 TRUE +"Rifaximin" NA NA NA 737 NA "8" 0.475488850792648 10027.19182742 0.0222932251795978 TRUE +"Rifaximin" NA NA NA 750 NA "8" 0.24587454682353 431.02099704 0.000958279078482518 TRUE +"Rifaximin" NA NA NA 751 NA "8" 0.648035546708184 363.814557991 0.000808860546851238 TRUE +"Rifaximin" NA NA NA 754 NA "8" 0.985440295816136 182701.2351504 0.406195457900849 TRUE +"Rifaximin" NA NA NA 755 NA "8" 0.060221206927448 15844.77037246 0.0352273138792795 TRUE +"Rifaximin" NA NA NA 768 NA "8" 0.894497716561007 4371.18513866 0.00971835547529683 TRUE +"Rifaximin" NA NA NA 769 NA "8" 0.727989068923473 3834.252394655 0.00852460524348515 TRUE +"Rifaximin" NA NA NA 786 NA "8" 1 449786.5044936 1 TRUE +"Rifaximin" NA NA NA 787 NA "8" 0.502031583649476 1585.108786094 0.00352413594062504 TRUE +"Spinosad A (Spinosyn A)" NA NA NA 650 NA "10" -0.319972463486621 301.336536892 0.000725005400459278 FALSE +"Spinosad A (Spinosyn A)" NA NA NA 672 NA "10" -0.0751124332871545 147.356142516 0.000354533838534279 FALSE +"Spinosad A (Spinosyn A)" NA NA NA 714 NA "10" 0.297354389109674 156.982562536 0.000377694675827935 TRUE +"Spinosad A (Spinosyn A)" NA NA NA 732 NA "10" 1 391698.27023234 0.94241264002707 TRUE +"Spinosad A (Spinosyn A)" NA NA NA 733 NA "10" -0.252914244331709 415633.506593342 1 FALSE +"TCMTB" NA NA NA 81 NA "4" 0.37122794225711 225.766800173 0.00370523391040966 TRUE +"TCMTB" NA NA NA 133 NA "4" 0.852030361970682 108.790925507 0.00178545218351194 TRUE +"TCMTB" NA NA NA 139 NA "4" -0.433048450364907 146.048198231 0.00239691015784902 FALSE +"TCMTB" NA NA NA 157 NA "4" -0.228697268192068 531.528373955 0.00872332404061995 FALSE +"TCMTB" NA NA NA 167 NA "4" 0.150333851615877 212.684405793 0.00349052859833993 TRUE +"TCMTB" NA NA NA 179 NA "4" -0.17837964882576 1037.96452143 0.0170348401078349 FALSE +"TCMTB" NA NA NA 180 NA "4" 0.789611889046075 20869.9768059 0.342513362068421 TRUE +"TCMTB" NA NA NA 193 NA "4" -0.166605827659421 150.142760278 0.00246410918858868 FALSE +"TCMTB" NA NA NA 195 NA "4" -0.182545269304725 161.612817282 0.00265235318253724 FALSE +"TCMTB" NA NA NA 197 NA "4" -0.242749284253616 110.914985894 0.00182031178451457 FALSE +"TCMTB" NA NA NA 203 NA "4" -0.312531258837773 175.738325112 0.00288417783777161 FALSE +"TCMTB" NA NA NA 206 NA "4" -0.0611854467140295 132.843214032 0.00218019292926153 FALSE +"TCMTB" NA NA NA 207 NA "4" -0.101127912669245 1589.964396964 0.0260941378247854 FALSE +"TCMTB" NA NA NA 209 NA "4" -0.156399927520568 1072.447051034 0.0176007596226065 FALSE +"TCMTB" NA NA NA 211 NA "4" 0.17680025099723 170.462800996 0.0027975971233583 TRUE +"TCMTB" NA NA NA 212 NA "4" 0.793502338978203 8421.26882924 0.138207968624554 TRUE +"TCMTB" NA NA NA 221 NA "4" -0.0518016280736369 625.5821654935 0.010266913698373 FALSE +"TCMTB" NA NA NA 223 NA "4" -0.122424017975061 256.69197036 0.00421277084309532 FALSE +"TCMTB" NA NA NA 225 NA "4" 0.390061336386313 194.082402714 0.00318523671061755 TRUE +"TCMTB" NA NA NA 239 NA "4" 1 60931.861694 1 TRUE +"TCMTB" NA NA NA 81 NA "9" 0.199905171881859 504.416463383 0.00917134682541392 TRUE +"TCMTB" NA NA NA 89 NA "9" -0.199107007659055 149.391085399 0.00271624254218471 FALSE +"TCMTB" NA NA NA 99 NA "9" -0.0338812622433734 125.761179447 0.00228660140500962 FALSE +"TCMTB" NA NA NA 109 NA "9" 0.126483758021084 210.522521964 0.00382773998006215 TRUE +"TCMTB" NA NA NA 119 NA "9" -0.79394237724823 127.158565038 0.00231200879916552 FALSE +"TCMTB" NA NA NA 121 NA "9" -0.821911171544641 157.729379176 0.00286785017142061 FALSE +"TCMTB" NA NA NA 123 NA "9" 0.0805464330600702 205.188810103 0.00373076193732346 TRUE +"TCMTB" NA NA NA 125 NA "9" 0.0321761514069641 122.26306915 0.00222299843980867 TRUE +"TCMTB" NA NA NA 133 NA "9" -0.199696627444678 412.972375868 0.00750870196226088 FALSE +"TCMTB" NA NA NA 135 NA "9" -0.00914152198049568 188.844723215 0.00343359223673672 FALSE +"TCMTB" NA NA NA 139 NA "9" 0.0356119841376918 204.951471794 0.00372644663022147 TRUE +"TCMTB" NA NA NA 147 NA "9" 0.368323214591474 192.940634707 0.00350806447859693 TRUE +"TCMTB" NA NA NA 149 NA "9" 0.217409002829919 126.687723869 0.00230344792145027 TRUE +"TCMTB" NA NA NA 151 NA "9" -0.491987609751591 238.69669676 0.00434000543397092 FALSE +"TCMTB" NA NA NA 153 NA "9" -0.323263979793048 164.52813863 0.00299146584509828 FALSE +"TCMTB" NA NA NA 157 NA "9" 0.0235401472310745 524.488719947 0.00953630245212462 TRUE +"TCMTB" NA NA NA 161 NA "9" -0.208033920560992 241.425545684 0.00438962161768608 FALSE +"TCMTB" NA NA NA 163 NA "9" -0.101839082838135 132.498260018 0.00240909562752766 FALSE +"TCMTB" NA NA NA 165 NA "9" -0.139851929152631 231.5828352 0.00421066054463649 FALSE +"TCMTB" NA NA NA 167 NA "9" -0.146067756874238 119.464797018 0.00217211999689992 FALSE +"TCMTB" NA NA NA 175 NA "9" -0.304775982977829 383.484092949 0.00697254327282744 FALSE +"TCMTB" NA NA NA 177 NA "9" 0.511849259901944 181.200629236 0.00329460661248235 TRUE +"TCMTB" NA NA NA 179 NA "9" -0.183784064101631 1750.86946875 0.0318344707391953 FALSE +"TCMTB" NA NA NA 180 NA "9" 0.0824682602917446 54999.170022145 1 TRUE +"TCMTB" NA NA NA 181 NA "9" -0.186412259346711 596.373793601 0.010843323514898 FALSE +"TCMTB" NA NA NA 183 NA "9" 0.22178450880952 494.953159792 0.0089992841636103 TRUE +"TCMTB" NA NA NA 193 NA "9" 0.193475698040205 809.099626569 0.0147111242995707 TRUE +"TCMTB" NA NA NA 195 NA "9" -0.404056320613755 725.98131943 0.0131998595458384 FALSE +"TCMTB" NA NA NA 196 NA "9" 0.174130986610192 133.296440371 0.00242360821658453 TRUE +"TCMTB" NA NA NA 197 NA "9" 0.106256782096321 523.726283058 0.00952243975403857 TRUE +"TCMTB" NA NA NA 198 NA "9" -0.00716378372760408 208.4981954115 0.00379093348731535 FALSE +"TCMTB" NA NA NA 203 NA "9" -0.144194753912229 459.324955954 0.00835148886372388 FALSE +"TCMTB" NA NA NA 206 NA "9" 0.325500568016324 152.820631021 0.00277859885811855 TRUE +"TCMTB" NA NA NA 207 NA "9" -0.425345150875628 3160.93913257 0.0574724878811311 FALSE +"TCMTB" NA NA NA 209 NA "9" 0.212622900608598 3198.85811233 0.0581619342808629 TRUE +"TCMTB" NA NA NA 211 NA "9" -0.529929003540618 578.71673209 0.0105222811881886 FALSE +"TCMTB" NA NA NA 212 NA "9" -0.0150310618117631 20718.67312981 0.376708832541796 FALSE +"TCMTB" NA NA NA 219 NA "9" 0.0614914753429088 123.263058663 0.00224118034169187 TRUE +"TCMTB" NA NA NA 221 NA "9" 0.209076519592657 2733.66568752 0.0497037625553133 TRUE +"TCMTB" NA NA NA 223 NA "9" 0.0847402042583731 543.135544781 0.0098753407471842 TRUE +"TCMTB" NA NA NA 225 NA "9" 0.382588834038783 381.507453195 0.00693660382586481 TRUE +"TCMTB" NA NA NA 239 NA "9" 1 27067.5244917 0.492144235645765 TRUE +"Trichlorfon (Dylox)" NA NA NA 79 NA "4" 0.0521595798449914 279.873629576 0.00690652095555926 TRUE +"Trichlorfon (Dylox)" NA NA NA 109 NA "4" 0.922563790701349 9640.82224867 0.237909305675332 TRUE +"Trichlorfon (Dylox)" NA NA NA 125 NA "4" -0.441808918074544 178.089407913 0.00439476284199285 FALSE +"Trichlorfon (Dylox)" NA NA NA 127 NA "4" 0.769422232032552 1076.07612804 0.0265546358881489 TRUE +"Trichlorfon (Dylox)" NA NA NA 140 NA "4" 0.348604833045235 1970.98268515 0.0486384988777101 TRUE +"Trichlorfon (Dylox)" NA NA NA 145 NA "4" 0.820960207936605 4235.84716059 0.104529202066952 TRUE +"Trichlorfon (Dylox)" NA NA NA 185 NA "4" 0.31275352450403 348.909767164 0.00861014530796692 TRUE +"Trichlorfon (Dylox)" NA NA NA 187 NA "4" -0.260474354038597 107.324927324 0.00264848767902871 FALSE +"Trichlorfon (Dylox)" NA NA NA 197 NA "4" -0.0360245652498858 2081.96281053 0.0513771869161251 FALSE +"Trichlorfon (Dylox)" NA NA NA 199 NA "4" 0.34691746641912 144.142693995 0.00355705015215411 TRUE +"Trichlorfon (Dylox)" NA NA NA 201 NA "4" 0.095844899247823 127.383673675 0.00314348305328139 TRUE +"Trichlorfon (Dylox)" NA NA NA 211 NA "4" 0.589929547507267 156.726169586 0.00386757614917167 TRUE +"Trichlorfon (Dylox)" NA NA NA 213 NA "4" 0.214402092378455 334.711538323 0.00825977158690306 TRUE +"Trichlorfon (Dylox)" NA NA NA 215 NA "4" 0.177739314274526 412.352368363 0.0101757363760497 TRUE +"Trichlorfon (Dylox)" NA NA NA 221 NA "4" 0.950607639404665 40523.0985871 1 TRUE +"Trichlorfon (Dylox)" NA NA NA 225 NA "4" -0.377401610724356 503.974612244 0.012436724480996 FALSE +"Trichlorfon (Dylox)" NA NA NA 227 NA "4" 0.163495046198974 177.141063216 0.00437136027086513 TRUE +"Trichlorfon (Dylox)" NA NA NA 229 NA "4" 0.602334206324447 1013.548554406 0.0250116252148756 TRUE +"Trichlorfon (Dylox)" NA NA NA 239 NA "4" -0.216616311827602 1313.5219316555 0.0324141533459547 FALSE +"Trichlorfon (Dylox)" NA NA NA 257 NA "4" 1 25290.7478033 0.624106958379313 TRUE
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/smol/out-smol-base.tsv Fri Aug 05 17:25:45 2022 +0000 @@ -0,0 +1,20 @@ +"compoundName" "inchikey" "elemcomposition" "fragment" "fragment_mz" "ppm" "fileid" "CorWithPrecursor" "AbsoluteIntensity" "relativeIntensity" "corValid" +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" "C13H8O4" "229" 2.02930325023702 "1" NA 203723.75 0.932156767504374 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" NA "312" NA "1" NA 3981.51538085938 0.0182177900573243 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" NA "313" NA "1" NA 7264.93603515625 0.0332413834452649 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" "C17H12O6" "367" -8.51110969664126 "1" NA 218550.953125 1 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" "C20H14O7" "451" -0.624494567969591 "1" NA 135964.078125 0.622116152690652 NA +"Caffeic acid" "QAIPRVGONGVQAS-DUXPYHPUSA-N" "C9H8O4" NA "109" NA "1" NA 1663.78308105469 1 NA +"Caffeic acid" "QAIPRVGONGVQAS-DUXPYHPUSA-N" "C9H8O4" NA "141" NA "1" NA 1119.27758789062 0.672730478291135 NA +"Berberine" "YBHILYKTIRIUTE-UHFFFAOYSA-N" "C20H18NO4+" NA "56" NA "1" NA 959.281677246094 0.00801122428782145 NA +"Berberine" "YBHILYKTIRIUTE-UHFFFAOYSA-N" "C20H18NO4+" NA "278" NA "1" NA 49810.07421875 0.415977585963074 NA +"Berberine" "YBHILYKTIRIUTE-UHFFFAOYSA-N" "C20H18NO4+" "C17H11NO3" "323" -0.610124713635454 "1" 1 119742.20703125 1 TRUE +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" NA "52" NA "1" NA 1706.40014648438 0.0178528316194543 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" "C5H6" "67" -3.38002342189334 "1" NA 1413.32275390625 0.0147865746503924 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" NA "122" NA "1" NA 40171.04296875 0.420280593374599 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" "C7H7NO" "135" -8.52289540743972 "1" NA 95581.484375 1 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" NA "233" NA "1" NA 17855.763671875 0.186811952007572 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" NA "135" NA "1" NA 1388.24841308594 0.0111932237930481 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" NA "177" NA "1" NA 1346.46130371094 0.0108563010474573 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" NA "205" NA "1" NA 1612.63024902344 0.0130023784667138 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" NA "217" NA "1" NA 124025.7890625 1 NA
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/smol/out-smol-delta-0.05mz.tsv Fri Aug 05 17:25:45 2022 +0000 @@ -0,0 +1,20 @@ +"compoundName" "inchikey" "elemcomposition" "fragment" "fragment_mz" "ppm" "fileid" "CorWithPrecursor" "AbsoluteIntensity" "relativeIntensity" "corValid" +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" "C13H8O4" "229" 2.02930325023702 "1" NA 203723.75 0.932156767504374 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" NA "312" NA "1" NA 3981.51538085938 0.0182177900573243 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" NA "313" NA "1" NA 7264.93603515625 0.0332413834452649 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" "C17H12O6" "367" -8.51110969664126 "1" NA 218550.953125 1 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" "C20H14O7" "451" -0.624494567969591 "1" NA 135964.078125 0.622116152690652 NA +"Caffeic acid" "QAIPRVGONGVQAS-DUXPYHPUSA-N" "C9H8O4" NA "109" NA "1" NA 1663.78308105469 1 NA +"Caffeic acid" "QAIPRVGONGVQAS-DUXPYHPUSA-N" "C9H8O4" NA "141" NA "1" NA 1119.27758789062 0.672730478291135 NA +"Berberine" "YBHILYKTIRIUTE-UHFFFAOYSA-N" "C20H18NO4+" NA "56" NA "1" NA 959.281677246094 0.00801122428782145 NA +"Berberine" "YBHILYKTIRIUTE-UHFFFAOYSA-N" "C20H18NO4+" NA "278" NA "1" NA 49810.07421875 0.415977585963074 NA +"Berberine" "YBHILYKTIRIUTE-UHFFFAOYSA-N" "C20H18NO4+" "C17H11NO3" "323" -0.610124713635454 "1" 1 119742.20703125 1 TRUE +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" NA "52" NA "1" NA 1706.40014648438 0.0178528316194543 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" "C5H6" "67" -3.38002342189334 "1" NA 1413.32275390625 0.0147865746503924 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" NA "122" NA "1" NA 40171.04296875 0.420280593374599 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" "C7H7NO" "135" -8.52289540743972 "1" NA 95581.484375 1 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" NA "233" NA "1" NA 17855.763671875 0.186811952007572 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" NA "135" NA "1" NA 1388.24841308594 0.0111932237930481 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" NA "177" NA "1" NA 1346.46130371094 0.0108563010474573 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" NA "205" NA "1" NA 1612.63024902344 0.0130023784667138 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" "C12H8O4" "217" NA "1" NA 124025.7890625 1 NA
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/smol/out-smol-delta-8.542.tsv Fri Aug 05 17:25:45 2022 +0000 @@ -0,0 +1,20 @@ +"compoundName" "inchikey" "elemcomposition" "fragment" "fragment_mz" "ppm" "fileid" "CorWithPrecursor" "AbsoluteIntensity" "relativeIntensity" "corValid" +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" "C13H8O4" "229" 2.02930325023702 "1" NA 203723.75 0.932156767504374 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" NA "312" NA "1" NA 3981.51538085938 0.0182177900573243 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" NA "313" NA "1" NA 7264.93603515625 0.0332413834452649 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" "C17H12O6" "367" -8.51110969664126 "1" NA 218550.953125 1 NA +"Orientin" "PLAPMLGJVGLZOV-VPRICQMDSA-N" "C21H20O11" "C20H14O7" "451" -0.624494567969591 "1" NA 135964.078125 0.622116152690652 NA +"Caffeic acid" "QAIPRVGONGVQAS-DUXPYHPUSA-N" "C9H8O4" NA "109" NA "1" NA 1663.78308105469 1 NA +"Caffeic acid" "QAIPRVGONGVQAS-DUXPYHPUSA-N" "C9H8O4" NA "141" NA "1" NA 1119.27758789062 0.672730478291135 NA +"Berberine" "YBHILYKTIRIUTE-UHFFFAOYSA-N" "C20H18NO4+" NA "56" NA "1" NA 959.281677246094 0.00801122428782145 NA +"Berberine" "YBHILYKTIRIUTE-UHFFFAOYSA-N" "C20H18NO4+" NA "278" NA "1" NA 49810.07421875 0.415977585963074 NA +"Berberine" "YBHILYKTIRIUTE-UHFFFAOYSA-N" "C20H18NO4+" "C17H11NO3" "323" -0.610124713635454 "1" 1 119742.20703125 1 TRUE +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" NA "52" NA "1" NA 1706.40014648438 0.0178528316194543 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" "C5H6" "67" -3.38002342189334 "1" NA 1413.32275390625 0.0147865746503924 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" NA "122" NA "1" NA 40171.04296875 0.420280593374599 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" "C7H7NO" "135" -8.52289540743972 "1" NA 95581.484375 1 NA +"Theobromine " "YAPQBXQYLJRXSA-UHFFFAOYSA-N" "C7H8N4O2" NA "233" NA "1" NA 17855.763671875 0.186811952007572 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" NA "135" NA "1" NA 1388.24841308594 0.0111932237930481 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" NA "177" NA "1" NA 1346.46130371094 0.0108563010474573 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" NA "205" NA "1" NA 1612.63024902344 0.0130023784667138 NA +"Bergapten " "BGEBZHIAGXMEMV-UHFFFAOYSA-N" "C12H8O4" NA "217" NA "1" NA 124025.7890625 1 NA
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/smol/smol_compounds_pos.csv Fri Aug 05 17:25:45 2022 +0000 @@ -0,0 +1,12 @@ +compound_name,mz,rtsec,inchikey,elemcomposition +Lupeol,427.3940062,732.0,MQYXUWHLBZFQQO-QGTGJCAVSA-N,C30H50O +Valerenic acid ,235.1698199,726.0,FEBNTWHYQKGEIQ-SUKRRCERSA-N,C15H22O2 +Orientin,449.1084015,324.0,PLAPMLGJVGLZOV-VPRICQMDSA-N,C21H20O11 +Ellagic acid ,303.0141071,420,AFSDNFLWKVMVRB-UHFFFAOYSA-N,C14H6O8 +Rutin ,611.161225,336.0,IKGXIBQEEMLURG-NVPNHPEKSA-N,C27H30O16 +Quercetin,303.0504927,384.0,REFJWTPEDVJJIY-UHFFFAOYSA-N,C15H10O7 +Caffeine ,195.0882156,279.00,RYYVLZVUVIJVGH-UHFFFAOYSA-N,C8H10N4O2 +Caffeic acid,181.0500987,297.00,QAIPRVGONGVQAS-DUXPYHPUSA-N,C9H8O4 +Berberine,336.123583,450.0,YBHILYKTIRIUTE-UHFFFAOYSA-N,C20H18NO4+ +Theobromine ,181.0725655,216.0,YAPQBXQYLJRXSA-UHFFFAOYSA-N,C7H8N4O2 +Bergapten ,217.0500987,555.00,BGEBZHIAGXMEMV-UHFFFAOYSA-N,C12H8O4 \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/smol/smol_fragments.tsv Fri Aug 05 17:25:45 2022 +0000 @@ -0,0 +1,2001 @@ +"grpid" "pid" "precursorScanNum" "acquisitionNum" "fileid" "mz" "i" "snr" "ra" "purity_pass_flag" "intensity_pass_flag" "ra_pass_flag" "snr_pass_flag" "pass_flag" +"721" 95 163 165 1 145.10173034668 21721.525390625 3.38640347747117 49.3177372613972 1 1 1 1 1 +"353" 3087 3649 3655 1 68.5760879516602 2286.35986328125 0.721929379746634 0.547405505074032 0 1 1 1 0 +"4216" 1198 1451 1452 1 234.039810180664 30390.056640625 3.76489303456961 6.42834274951674 1 1 1 1 1 +"4554" 2238 2662 2665 1 469.540161132812 1978.78894042969 0.669718668597433 0.911835849934674 1 1 1 1 1 +"4996" 5084 5980 5985 1 103.054275512695 12733.4951171875 1.14325872645505 0.252419531734431 1 1 1 1 1 +"4392" 3311 3915 3917 1 354.892700195312 1927.13671875 0.89444304502735 2.38453806526003 1 1 1 1 1 +"4227" 5214 6134 6137 1 327.079010009766 7712.74609375 2.80895685647012 6.8403512136663 1 1 1 1 1 +"4414" 2752 3264 3265 1 68.4435729980469 1178.50964355469 0.543257393355147 1.4904812196437 1 1 1 1 1 +"4198" 5382 6330 6333 1 200.935501098633 1166.29418945312 0.517474681102235 0.97692729038659 1 1 1 1 1 +"353" 3042 3600 3603 1 78.9970550537109 2241.02734375 0.488678707887271 0.412024703944167 0 1 1 1 0 +"218" 436 562 563 1 102.943977355957 22981.041015625 1.41185737475822 0.437579211542447 1 1 1 1 1 +"3055" 1088 1318 1323 1 107.049301147461 1529.59802246094 0.65445332360064 1.94483291711011 0 1 1 1 0 +"4383" 2057 2452 2454 1 211.111892700195 35775.921875 2.67879675448784 3.95473526928435 1 1 1 1 1 +"215" 3532 4174 4175 1 108.958633422852 35949.62890625 4.20014036058134 2.24576769737484 1 1 1 1 1 +"4224" 4613 5434 5436 1 696.190246582031 3231.9150390625 0.848395505567283 1.53044860589505 1 1 1 1 1 +"4387" 2579 3061 3063 1 233.036880493164 7863.82470703125 3.65901346373461 10.2818100179483 1 1 1 1 1 +"49" 5405 6358 6360 1 144.982452392578 2823.61694335938 0.603954352458244 0.293143379586916 1 1 1 1 1 +"207" 4925 5798 5800 1 114.966102600098 2001.22900390625 0.544934869019062 0.296161615132741 1 1 1 1 1 +"2616" 374 485 490 1 367.542724609375 12869.7978515625 4.15260206567066 13.4645886936579 0 1 1 1 0 +"652" 390 506 509 1 135.055236816406 1726.28576660156 0.505386946911676 0.569765123539208 0 1 1 1 0 +"2220" 4872 5735 5738 1 215.025726318359 594828.4375 9.83360896087759 6.58080794363345 0 1 1 1 0 +"4860" 4971 5847 5853 1 367.109832763672 30868.32421875 12.2144215134072 13.99883825613 1 1 1 1 1 +"3481" 2242 2669 2670 1 229.050155639648 203723.75 1.55884138054386 5.43469706896699 1 1 1 1 1 +"836" 5593 6673 6676 1 150.027114868164 5646.8271484375 1.93325897101667 0.685434981597792 1 1 1 1 1 +"336" 3421 4041 4045 1 120.965187072754 4461.45703125 0.899639900409172 0.790199156813159 0 1 1 1 0 +"328" 188 268 273 1 118.960388183594 8293.23046875 0.957089332092868 0.653966957272238 0 1 1 1 0 +"203" 3826 4517 4518 1 74.9282836914062 59889.62109375 6.61669522210666 3.38121848524518 1 1 1 1 1 +"4204" 5140 6050 6051 1 234.039825439453 212023.671875 1.89202132789996 2.55188991936687 1 1 1 1 1 +"95" 2372 2816 2821 1 146.640289306641 1031.21411132812 0.340889963604856 0.169677963477347 0 1 1 1 0 +"1806" 2046 2438 2441 1 55.9347190856934 31595.833984375 11.2874840935712 30.318512676673 1 1 1 1 1 +"1212" 4893 5756 5762 1 82.0733413696289 14187.9619140625 3.29854504797867 2.044230950459 1 1 1 1 1 +"4208" 4288 5056 5057 1 166.073837280273 9624.1240234375 2.22105359889465 3.80017606720014 1 1 1 1 1 +"4641" 5108 6008 6013 1 677.151306152344 253430.109375 12.6592998762033 19.9765976324948 0 1 1 1 0 +"4384" 130 205 206 1 695.185241699219 35120.58203125 3.1185692284286 4.25120675318784 1 1 1 1 1 +"3659" 5007 5889 5895 1 486.352142333984 4015.140625 1.68502432248174 11.8599033370502 1 1 1 1 1 +"3171" 5120 6022 6027 1 384.558990478516 222942.03125 14.3790998368112 100 0 1 1 1 0 +"47" 469 597 601 1 64.9345016479492 4535.3125 1.53514081617905 0.41556511701796 1 1 1 1 1 +"2239" 3468 4097 4100 1 77.0388870239258 4979.34033203125 1.63806942538842 1.81327785911322 1 1 1 1 1 +"4192" 3766 4447 4448 1 228.093078613281 18262.884765625 1.70906763335839 1.54990365154275 1 1 1 1 1 +"835" 5537 6584 6586 1 69.053092956543 5048.43896484375 1.61590709662174 0.5496591157544 1 1 1 1 1 +"2896" 391 506 510 1 152.062042236328 1278.80053710938 1.03405304411647 40.2652774366585 0 1 1 1 0 +"4389" 3160 3740 3741 1 171.080490112305 6702.19189453125 0.53218731445196 0.518888678999372 1 1 1 1 1 +"4373" 1721 2060 2062 1 117.070213317871 24678.994140625 1.25227492845128 1.87750004564611 1 1 1 1 1 +"4403" 1112 1346 1351 1 183.118225097656 1826.88732910156 0.878989388920796 2.19525960924192 1 1 1 1 1 +"4905" 5312 6246 6251 1 194.104797363281 4436.9423828125 0.712460722705358 0.488467304013126 1 1 1 1 1 +"2763" 86 149 154 1 403.568420410156 24689.162109375 4.1544542820802 7.87870471146735 0 1 1 1 0 +"337" 4073 4804 4806 1 118.065299987793 28142.8125 6.41974819104974 5.2699749588851 0 1 1 1 0 +"212" 1066 1297 1298 1 131.974472045898 122587.03125 7.22634869665184 3.19211353226306 1 1 1 1 1 +"3155" 111 177 183 1 197.036499023438 2719.60424804688 0.66303800714905 3.04325807263514 0 1 1 1 0 +"4380" 4726 5567 5568 1 177.067535400391 3366.84594726562 0.484971002705767 0.545710735928225 1 1 1 1 1 +"4381" 403 520 524 1 215.027099609375 2979.8134765625 1.06122367355257 1.7808703437392 1 1 1 1 1 +"2657" 2221 2641 2645 1 671.068054199219 7606.982421875 2.63640358546217 9.49475386372264 0 1 1 1 0 +"2584" 5162 6071 6076 1 284.030517578125 1967.13391113281 0.886656835441534 1.25653506170164 1 1 1 1 1 +"883" 3118 3691 3692 1 109.10131072998 5852.47412109375 2.08861281269966 1.30037244833413 1 1 1 1 1 +"348" 2884 3418 3419 1 53.0389976501465 6449.875 0.424917662886974 0.48107766468815 0 1 1 1 0 +"4527" 3361 3971 3975 1 289.041473388672 1191.50805664062 0.758275125865052 0.956217574454457 1 1 1 1 1 +"325" 1283 1549 1551 1 150.957275390625 5261.5576171875 0.384510750394853 0.251342690633688 0 1 1 1 0 +"4415" 4535 5343 5345 1 274.071960449219 9642.3828125 3.21488187698986 5.74096750879152 1 1 1 1 1 +"4553" 3049 3607 3611 1 109.126991271973 2017.34521484375 0.836458368130739 0.875116260713829 1 1 1 1 1 +"948" 1505 1808 1810 1 105.070152282715 5827.17041015625 2.20502905106506 12.7200754478614 0 1 1 1 0 +"2225" 117 184 190 1 175.016128540039 5805.07421875 2.30699647390503 1.91621272041168 1 1 1 1 1 +"2246" 881 1080 1082 1 53.0389595031738 45344.07421875 18.3943257365309 12.5712564651404 1 1 1 1 1 +"4404" 3575 4223 4225 1 367.061676025391 3505.43969726562 0.905229930080899 1.979748078168 1 1 1 1 1 +"217" 4156 4902 4903 1 148.962020874023 14204.2578125 2.45389383284806 1.11215438124029 1 1 1 1 1 +"214" 940 1150 1151 1 91.9482955932617 22202.439453125 1.32442507248562 0.571886089539666 1 1 1 1 1 +"4227" 5308 6246 6247 1 79.0538177490234 13645.974609375 0.51219460163231 0.418397108049966 1 1 1 1 1 +"3622" 4928 5798 5803 1 107.085739135742 1692.72351074219 0.979793148678838 1.45554398324491 1 1 1 1 1 +"337" 4033 4755 4759 1 149.949844360352 2727.21606445312 0.724448892044623 0.496492242880642 0 1 1 1 0 +"4231" 4468 5266 5267 1 695.187927246094 46069.984375 11.0386217629419 18.2340044558448 1 1 1 1 1 +"2618" 669 828 834 1 502.050750732422 2644.15087890625 0.662159640601997 1.73615115121072 0 1 1 1 0 +"4400" 4172 4916 4921 1 654.112731933594 1641.58825683594 0.781152589299598 2.85224061520393 1 1 1 1 1 +"3994" 5257 6183 6187 1 169.052261352539 7226.78857421875 1.59022376058426 3.75132828351401 0 1 1 1 0 +"333" 1595 1913 1915 1 92.9484634399414 5196.78759765625 0.614548481271985 0.300089178557111 0 1 1 1 0 +"4227" 5382 6330 6333 1 91.0542984008789 14982.978515625 6.64781844876567 12.5502473865993 1 1 1 1 1 +"2763" 132 205 208 1 658.082946777344 3273.03344726562 0.52194643400742 2.26572232924891 0 1 1 1 0 +"3861" 5325 6260 6266 1 333.066680908203 2952.28784179688 0.535268320454951 1.15122399072545 0 1 1 1 0 +"4384" 108 177 180 1 51.0232315063477 1957.34753417969 0.513210753010921 1.01015232318861 1 1 1 1 1 +"2300" 4868 5728 5733 1 333.087158203125 2412.67700195312 1.14042257717794 2.20028268316473 1 1 1 1 1 +"339" 1918 2291 2292 1 75.9355392456055 1833326.5 154.064849698606 100 0 1 1 1 0 +"337" 4090 4825 4826 1 63.0023002624512 16185.642578125 2.31166995897068 1.38781651608648 0 1 1 1 0 +"2657" 2221 2641 2645 1 169.98762512207 1576.51135253906 0.54638225144358 1.96774311094482 0 1 1 1 0 +"4225" 1572 1885 1888 1 252.052291870117 5018.91162109375 1.91047164365082 5.75824974474583 1 1 1 1 1 +"336" 3296 3894 3899 1 91.0596008300781 1885.38110351562 0.543103506174572 1.94229614680881 0 1 1 1 0 +"3061" 968 1178 1183 1 290.543304443359 1495.48950195312 0.71327054489956 4.79862165629365 0 1 1 1 0 +"4227" 5182 6099 6100 1 183.081100463867 155095.890625 4.97058713436412 4.30396154984184 1 1 1 1 1 +"4374" 773 954 956 1 105.069854736328 18545.65625 1.47130212558325 1.50919855298655 1 1 1 1 1 +"237" 1774 2123 2124 1 115.05445098877 17868.908203125 1.74439237956214 0.582837999318948 1 1 1 1 1 +"3218" 4993 5875 5879 1 354.983276367188 2351.97143554688 0.99321049576629 13.6751889124857 1 1 1 1 1 +"2614" 1632 1955 1958 1 181.065078735352 2042.01245117188 0.773894173427649 2.30614028296314 0 1 1 1 0 +"4103" 5381 6330 6332 1 91.0544357299805 13587.88671875 3.26373312159954 8.83780707482094 1 1 1 1 1 +"1037" 106 177 178 1 115.964309692383 10871.4580078125 2.6396203171398 3.46573972671111 0 1 1 1 0 +"4220" 4685 5518 5520 1 178.078186035156 48650.9375 15.2812172629681 23.7728502728679 1 1 1 1 1 +"4394" 3905 4608 4610 1 184.120986938477 3056.27075195312 0.896436070680078 1.52124248366659 1 1 1 1 1 +"738" 1098 1332 1335 1 103.955917358398 3257.71313476562 1.16098782683144 7.99106662050743 1 1 1 1 1 +"981" 5502 6526 6527 1 95.0605239868164 1914.74926757812 0.902000740088379 9.70763394948098 1 1 1 1 1 +"881" 4765 5609 5613 1 72.9417343139648 1840.75146484375 0.693493928251967 0.443646806952861 1 1 1 1 1 +"4409" 2917 3453 3457 1 233.036422729492 6993.09912109375 3.4027835988204 10.3420446768925 1 1 1 1 1 +"55" 3672 4335 4338 1 62.9292793273926 1310463 315.252998971486 100 1 1 1 1 1 +"357" 3574 4223 4224 1 119.085273742676 131591.984375 15.6413010781339 10.1879177078111 0 1 1 1 0 +"2618" 751 926 930 1 209.095352172852 2138.05224609375 0.480802408486009 1.7560375308687 0 1 1 1 0 +"743" 429 548 554 1 122.019607543945 2758.03149414062 1.27634218258424 6.62852776785247 0 1 1 1 0 +"339" 1899 2263 2269 1 118.064971923828 34843.80859375 6.75228248716728 6.11505830300672 0 1 1 1 0 +"4192" 3808 4496 4497 1 155.085433959961 26499.517578125 1.67727909916803 1.85893284460924 1 1 1 1 1 +"4559" 3994 4713 4714 1 71.5279769897461 1451.98278808594 0.824357911949279 0.831366069036194 1 1 1 1 1 +"728" 4505 5308 5310 1 147.06494140625 1503.87573242188 0.735413724877456 3.74340988486399 1 1 1 1 1 +"3161" 301 401 405 1 396.065856933594 9093.6923828125 3.42559928824189 13.6152084362425 0 1 1 1 0 +"2641" 410 527 532 1 233.036727905273 59364.26953125 11.2221510660109 48.1093958488649 0 1 1 1 0 +"4858" 5145 6050 6056 1 91.054443359375 3874.51733398438 1.58608855438382 1.25906389821739 1 1 1 1 1 +"4996" 5084 5980 5985 1 267.116760253906 2900.52294921875 0.260419322617991 0.0574978541153657 1 1 1 1 1 +"3133" 421 541 545 1 195.080383300781 1891.95581054688 0.855107258184604 3.87031983752255 0 1 1 1 0 +"317" 1792 2144 2145 1 135.970245361328 12859.998046875 1.03709731093491 0.938401214877675 0 1 1 1 0 +"1867" 5340 6281 6284 1 86.1047821044922 5290.40869140625 1.23183046267385 2.75377896588037 1 1 1 1 1 +"4413" 2246 2669 2674 1 173.497131347656 1162.7265625 0.604399712148794 1.6459013485467 1 1 1 1 1 +"4395" 1952 2326 2331 1 422.210327148438 1652.33166503906 0.623344907235781 1.07223213354158 1 1 1 1 1 +"4223" 3661 4321 4325 1 53.0388259887695 2303.04663085938 1.09341711197591 3.52837465420482 1 1 1 1 1 +"37" 2908 3446 3447 1 104.107032775879 10903.359375 3.1819873655747 0.817403100807883 1 1 1 1 1 +"3064" 835 1024 1028 1 439.039947509766 1400.111328125 0.50193327935774 1.65223640811715 0 1 1 1 0 +"728" 4505 5308 5310 1 128.049621582031 2345.42846679688 1.14694335975683 5.83818191727149 1 1 1 1 1 +"4393" 5446 6407 6408 1 193.100616455078 21148.833984375 0.789660901404211 0.903824616919098 1 1 1 1 1 +"4372" 3454 4083 4084 1 193.101852416992 11075.2412109375 0.910676064768305 1.02691465791969 1 1 1 1 1 +"2618" 709 877 881 1 402.070159912109 28204.287109375 6.94043445738066 17.412939132854 0 1 1 1 0 +"4406" 2800 3320 3321 1 168.056930541992 26101.390625 1.63615505315718 2.23000942577326 1 1 1 1 1 +"4227" 5224 6148 6149 1 251.04719543457 187868.96875 6.59327672834879 5.95286600686356 1 1 1 1 1 +"2525" 5077 5973 5977 1 95.0495376586914 1998.54699707031 0.856011884545114 3.96310479738691 1 1 1 1 1 +"3770" 5064 5959 5962 1 55.0546417236328 5204.00146484375 2.07263058888597 5.03253741091605 1 1 1 1 1 +"1806" 2046 2438 2441 1 184.989898681641 2315.55639648438 0.827223171447535 2.22194565255282 1 1 1 1 1 +"1409" 3820 4510 4511 1 217.014663696289 124025.7890625 3.68584988427521 3.49318211551424 1 1 1 1 1 +"333" 1602 1920 1923 1 97.0077438354492 12891.84375 2.97301651405217 2.26187553327242 0 1 1 1 0 +"4408" 2698 3201 3202 1 175.016571044922 4643.2890625 0.831720394417201 1.70967788703338 1 1 1 1 1 +"4212" 1720 2060 2061 1 273.068450927734 156019.609375 7.61281168797875 7.80331268382838 1 1 1 1 1 +"2726" 5126 6029 6034 1 339.964691162109 34544.32421875 2.19292453125536 13.1080313757465 0 1 1 1 0 +"3688" 5029 5917 5921 1 135.118438720703 1043.67309570312 0.564773315031103 0.822785016239499 1 1 1 1 1 +"309" 2479 2942 2946 1 115.054206848145 7709.34521484375 0.895691081142932 0.475156969732211 0 1 1 1 0 +"352" 2542 3019 3020 1 60.986743927002 22916.142578125 2.57130930649161 1.5100150106475 0 1 1 1 0 +"50" 637 793 797 1 55.9792137145996 1165.41931152344 0.397108864334738 0.10010878610109 1 1 1 1 1 +"2218" 1511 1815 1817 1 132.753082275391 1326.6689453125 0.459908227165399 0.34732946141827 1 1 1 1 1 +"326" 2148 2557 2560 1 120.064254760742 2278.35375976562 0.488917884271923 0.418402107252264 0 1 1 1 0 +"3375" 81 145 148 1 99.1167831420898 9315.0771484375 1.3578400543669 0.234668328060268 1 1 1 1 1 +"2309" 2334 2774 2777 1 166.080337524414 1656.61303710938 0.741014762444551 11.195087212462 1 1 1 1 1 +"1520" 4896 5763 5766 1 108.089218139648 15897.27734375 3.70985664391403 8.14755029127116 1 1 1 1 1 +"2634" 1177 1423 1427 1 187.031280517578 3736.50170898438 1.07819912758975 3.17162027916389 0 1 1 1 0 +"349" 107 177 179 1 119.08521270752 121007.7265625 20.6027113737441 43.1539229559976 0 1 1 1 0 +"2605" 1791 2137 2143 1 228.007568359375 1909.01135253906 0.790886895021848 2.33370656630899 0 1 1 1 0 +"742" 553 695 699 1 146.06037902832 25664.708984375 12.3224275602343 59.3789864596727 0 1 1 1 0 +"3046" 1743 2081 2087 1 595.035278320312 2052.60327148438 0.925920219521425 3.20754461152414 0 1 1 1 0 +"4211" 1614 1934 1937 1 168.057891845703 4096.25341796875 1.50589475994163 5.93206682100225 1 1 1 1 1 +"321" 3796 4482 4483 1 60.9867782592773 11717.6005859375 1.09338302153142 1.21755425255812 0 1 1 1 0 +"4538" 1642 1969 1970 1 716.166381835938 171802.375 131.538130850249 100 1 1 1 1 1 +"1095" 4260 5021 5024 1 175.111968994141 8805.876953125 3.11241099537792 0.943242331362683 1 1 1 1 1 +"4557" 1288 1556 1557 1 716.167297363281 182340.3125 45.8845008181748 57.5995869730674 1 1 1 1 1 +"4569" 952 1164 1165 1 609.045104980469 1889.75817871094 0.716993956017847 0.775461277291606 1 1 1 1 1 +"3312" 4919 5791 5793 1 66.5754318237305 8728.388671875 5.33088316701294 31.4870635536412 1 1 1 1 1 +"4530" 3824 4510 4515 1 671.317077636719 1290.2880859375 0.918985357062715 1.30399799485592 1 1 1 1 1 +"342" 4570 5385 5386 1 116.953811645508 4416.38916015625 0.582314329209417 0.441647555745934 0 1 1 1 0 +"4384" 282 380 383 1 339.078308105469 9584.5859375 2.54070958789418 4.31262102175794 1 1 1 1 1 +"4996" 5090 5987 5992 1 181.101745605469 6515.19970703125 0.503981959108471 0.213095945741883 1 1 1 1 1 +"315" 2707 3208 3212 1 58.3995590209961 1415.59643554688 0.322416650077681 0.258359648550214 0 1 1 1 0 +"2641" 452 576 581 1 367.110290527344 64110.35546875 13.3348697611346 44.7822125763731 0 1 1 1 0 +"4103" 5410 6365 6366 1 79.999137878418 5209.83251953125 0.425802062050188 0.705395862101677 1 1 1 1 1 +"328" 188 268 273 1 59.9407501220703 7117.75732421875 0.821432568298374 0.561274417425314 0 1 1 1 0 +"4202" 2685 3180 3186 1 115.062118530273 1419.08337402344 0.694257720252945 2.10394049696929 1 1 1 1 1 +"330" 4828 5686 5687 1 116.972007751465 50919.77734375 5.89683761931158 3.73265595035297 0 1 1 1 0 +"225" 4372 5154 5155 1 51.940185546875 2256.46850585938 0.462517427295774 0.186001550174083 1 1 1 1 1 +"216" 4588 5406 5407 1 114.110054016113 3267.90698242188 0.6043227755742 0.357369243230566 1 1 1 1 1 +"3975" 4497 5294 5300 1 365.404632568359 1234.47290039062 0.330103760958546 2.44733468829547 1 1 1 1 1 +"348" 2806 3327 3328 1 75.944450378418 11124.8583984375 1.22066645036136 0.671673392825486 0 1 1 1 0 +"213" 1649 1976 1978 1 147.953964233398 7513.23779296875 0.795254935589311 0.231162357663545 1 1 1 1 1 +"3155" 218 303 308 1 402.069580078125 19109.669921875 5.63574559327165 33.4922765619709 0 1 1 1 0 +"4379" 2435 2893 2895 1 239.085830688477 20059.68359375 1.47358556653292 1.50603666470682 1 1 1 1 1 +"2611" 1046 1269 1274 1 229.100494384766 2291.11669921875 0.708822203827698 2.07174116069609 0 1 1 1 0 +"333" 1602 1920 1923 1 104.062362670898 7423.072265625 1.7118510632512 1.30237891995319 0 1 1 1 0 +"116" 3909 4608 4614 1 109.065086364746 18691.404296875 8.4038115284807 16.00884685437 0 1 1 1 0 +"356" 4482 5280 5283 1 67.610221862793 1073.37878417969 0.304037520758155 0.199092373676949 0 1 1 1 0 +"1520" 4886 5749 5754 1 122.104751586914 1246.70263671875 0.446075548243785 0.382029970181263 1 1 1 1 1 +"4405" 4607 5427 5429 1 115.054466247559 41963.33203125 13.8357340215173 24.6830016750948 1 1 1 1 1 +"3155" 224 310 315 1 91.0543441772461 2031.21655273438 0.924288935701537 6.75350567914242 0 1 1 1 0 +"2634" 1092 1325 1328 1 383.006958007812 2121.15991210938 0.520351764309085 2.00173720856095 0 1 1 1 0 +"4387" 2597 3082 3084 1 354.878997802734 10291.181640625 0.697970054600473 1.01670295016233 1 1 1 1 1 +"4372" 3419 4041 4043 1 291.079467773438 6440.1708984375 1.17360014307997 3.07744928141122 1 1 1 1 1 +"347" 1729 2067 2071 1 59.9305191040039 24788.634765625 5.63948382191818 4.30770690437546 0 1 1 1 0 +"3998" 5260 6190 6191 1 169.052154541016 8495.4228515625 2.95134551696348 7.08221544895478 0 1 1 1 0 +"336" 3258 3852 3855 1 74.9465560913086 5085.3408203125 0.501366837451144 0.385236019487962 0 1 1 1 0 +"4204" 5116 6022 6023 1 184.083999633789 213750.609375 0.57320128232471 0.988685352304012 1 1 1 1 1 +"315" 2790 3306 3309 1 135.97004699707 24590.6328125 6.05192137982024 4.49134646974229 0 1 1 1 0 +"2335" 3112 3684 3685 1 55.5746726989746 959.281677246094 0.290623861404139 0.707872064970875 1 1 1 1 1 +"2359" 5262 6190 6193 1 96.0889282226562 5960.01611328125 2.55590811400656 9.83415304797591 1 1 1 1 1 +"884" 1339 1612 1616 1 137.096969604492 1371.21984863281 0.411668640591171 0.305768427003221 1 1 1 1 1 +"1391" 3888 4587 4590 1 51.4432106018066 858.233276367188 0.525063774814822 1.85921473615818 1 1 1 1 1 +"4573" 2772 3285 3288 1 249.747817993164 1167.85925292969 0.944673086595977 0.921613091110705 1 1 1 1 1 +"4385" 941 1150 1152 1 208.089126586914 9425.533203125 0.762442509200187 0.788731542738568 1 1 1 1 1 +"486" 48 84 85 1 125.023826599121 1541.14929199219 1.05305721060381 3.09240373798035 1 1 1 1 1 +"236" 814 1003 1004 1 113.963897705078 610673.875 34.4519466094864 12.4931568041109 1 1 1 1 1 +"2917" 1449 1738 1744 1 81.2464141845703 1096.99816894531 0.961288767044043 33.8628315909689 0 1 1 1 0 +"4390" 4078 4811 4812 1 693.181579589844 446605.6875 43.7081577485594 61.2280953999997 1 1 1 1 1 +"4221" 1114 1353 1354 1 212.115646362305 17078.69921875 1.80991136358544 3.08514078494633 1 1 1 1 1 +"3318" 5246 6169 6174 1 149.023635864258 16537.447265625 10.8477470157735 99.4307888597987 1 1 1 1 1 +"4233" 4937 5812 5814 1 254.108200073242 47434.81640625 1.30991077346064 1.66098964713769 1 1 1 1 1 +"227" 2717 3222 3224 1 72.9288864135742 19507.849609375 2.00997944443735 0.681435273083588 1 1 1 1 1 +"4214" 359 471 473 1 197.036773681641 29914.240234375 4.70592296462782 8.75937022858503 1 1 1 1 1 +"4195" 692 856 861 1 77.2443923950195 2196.10009765625 0.937264849595955 2.69836747319879 1 1 1 1 1 +"345" 2235 2655 2661 1 103.060737609863 1520.40405273438 0.345378749338575 0.223874930276246 0 1 1 1 0 +"31" 1056 1283 1286 1 103.955764770508 11332.845703125 3.20776497540448 0.946627792263198 1 1 1 1 1 +"316" 4667 5497 5499 1 96.9602813720703 3158.07983398438 0.782080598196513 0.564648449002062 0 1 1 1 0 +"42" 1903 2270 2274 1 124.01490020752 1685.68798828125 0.427752454035097 0.130588491059162 1 1 1 1 1 +"3061" 920 1122 1127 1 383.561340332031 38816.66015625 14.6327104817727 51.9187285203797 0 1 1 1 0 +"1318" 3823 4510 4514 1 202.160369873047 3255.126953125 1.69170011928687 3.03031961483044 1 1 1 1 1 +"347" 1750 2095 2096 1 78.9971313476562 152389.359375 14.0894488069538 7.86655752389524 0 1 1 1 0 +"3249" 5408 6358 6363 1 56.057933807373 1384.08508300781 0.613293075381268 2.72716070004808 1 1 1 1 1 +"4098" 5148 6057 6060 1 69.0337448120117 26315.73828125 5.59292369682795 2.72886485284511 1 1 1 1 1 +"4382" 3231 3817 3823 1 327.079681396484 2800.80834960938 1.32942902317578 3.93721978468393 1 1 1 1 1 +"342" 4570 5385 5386 1 77.9334869384766 14155.7216796875 1.86647491320507 1.41559986064102 0 1 1 1 0 +"4414" 2793 3306 3312 1 154.073013305664 2090.46630859375 0.941974697469747 2.728946658811 1 1 1 1 1 +"318" 4265 5028 5030 1 116.962181091309 165809.25 17.7082939637336 13.1267827638649 0 1 1 1 0 +"4414" 2800 3320 3321 1 212.116302490234 6748.04345703125 0.422998358967547 0.576528688869706 1 1 1 1 1 +"1634" 4255 5014 5018 1 161.221389770508 1673.55822753906 0.729290723800532 0.325217351770643 1 1 1 1 1 +"228" 4480 5280 5281 1 86.0603103637695 21525.1640625 4.04096780015827 1.96479767188083 1 1 1 1 1 +"4384" 154 233 234 1 155.085952758789 5758.83447265625 1.37796672646688 2.83644509316665 1 1 1 1 1 +"603" 112 184 185 1 77.3852844238281 1850.63940429688 0.25418718534556 0.965950366775285 1 1 1 1 1 +"354" 863 1059 1061 1 148.962478637695 18690.97265625 1.34285825942589 0.664499812819184 0 1 1 1 0 +"200" 3202 3789 3790 1 116.983993530273 5079.5068359375 0.656948266609915 0.222085404541825 1 1 1 1 1 +"4049" 2344 2788 2789 1 303.022033691406 735.779724121094 0.345487217476066 1.53077533960186 1 1 1 1 1 +"4103" 5331 6267 6273 1 215.025909423828 1537.20043945312 0.523389798892567 0.730329526132371 1 1 1 1 1 +"4225" 1552 1864 1865 1 116.055709838867 14062.4169921875 0.803822903818449 0.826599466090743 1 1 1 1 1 +"721" 144 219 222 1 121.966438293457 33306.890625 12.0264324939736 100 0 1 1 1 0 +"2758" 325 429 433 1 105.044731140137 4373.01904296875 1.08549549530441 4.89250140176848 0 1 1 1 0 +"4404" 3606 4258 4261 1 712.65771484375 2187.1416015625 0.944649046496792 3.7437790428624 1 1 1 1 1 +"1190" 2595 3075 3081 1 58.0655212402344 1409.93920898438 0.915242343194068 2.97876627659453 1 1 1 1 1 +"4373" 1372 1654 1655 1 115.054473876953 67807 9.2418767642715 22.9600752220377 1 1 1 1 1 +"3437" 4871 5735 5737 1 67.0543746948242 2174.31469726562 1.28539844099492 1.96238715625983 1 1 1 1 1 +"2758" 285 380 386 1 395.068023681641 7536.7763671875 1.82947780951955 6.89881048453851 0 1 1 1 0 +"3161" 301 401 405 1 232.002548217773 4168.47509765625 1.57026702976827 6.24110151594142 0 1 1 1 0 +"3038" 1615 1934 1938 1 394.566711425781 6342.6181640625 2.28004340087242 10.0274788982404 0 1 1 1 0 +"325" 1123 1360 1364 1 118.103744506836 2855.67456054688 0.508264327243364 0.495286491203262 0 1 1 1 0 +"3833" 4501 5301 5305 1 93.0700531005859 8558.2919921875 3.54196394154381 35.6410246399434 1 1 1 1 1 +"96" 5409 6358 6364 1 65.0387573242188 4537.8896484375 1.9423847137283 0.950232251961109 0 1 1 1 0 +"3155" 129 198 204 1 341.962005615234 5429.7109375 2.71437833193384 10.2585656623968 0 1 1 1 0 +"330" 4828 5686 5687 1 74.937744140625 795906.6875 92.1711119164534 58.3436532521924 0 1 1 1 0 +"1136" 2052 2445 2448 1 109.101554870605 9830.1201171875 1.04632776747757 1.29990860645847 1 1 1 1 1 +"96" 5073 5966 5972 1 106.904777526855 8840.6328125 3.49385128181675 1.57805497003762 1 1 1 1 1 +"325" 1270 1535 1536 1 59.0688247680664 4961.451171875 0.386583766730287 0.262672382101678 0 1 1 1 0 +"3375" 81 145 148 1 135.072601318359 2628.3369140625 0.383127383854658 0.0662138830815362 1 1 1 1 1 +"4231" 4468 5266 5267 1 192.090606689453 4692.69384765625 1.12439526811891 1.8573177674988 1 1 1 1 1 +"3061" 927 1129 1135 1 57.0703010559082 1565.62268066406 0.694477258023678 4.53513964754399 0 1 1 1 0 +"4389" 3147 3719 3725 1 183.081146240234 1941.94677734375 0.838784636502516 2.46415515891112 1 1 1 1 1 +"3381" 85 149 153 1 67.0544052124023 11935.669921875 4.20648348300263 3.80370204260242 0 1 1 1 0 +"3994" 5040 5931 5934 1 283.030639648438 17444.44140625 4.81290312585566 7.25560312930001 1 1 1 1 1 +"2642" 2137 2543 2547 1 375.551849365234 27921.9609375 10.1483576030347 35.4319196199537 0 1 1 1 0 +"4404" 3701 4370 4372 1 354.960754394531 3313.91674804688 0.757157906808987 1.46857344405382 1 1 1 1 1 +"78" 2925 3460 3466 1 124.968078613281 3037.25927734375 0.945313285980845 0.445627269979187 0 1 1 1 0 +"35" 4049 4776 4778 1 60.9867286682129 21165.701171875 5.04709171398628 1.83680357922927 1 1 1 1 1 +"4229" 2194 2613 2614 1 233.036468505859 68597.8828125 8.38634259416786 14.6342432928704 1 1 1 1 1 +"1867" 5340 6281 6284 1 111.11695098877 13734.51953125 3.19797590992645 7.14913217443243 1 1 1 1 1 +"334" 5438 6393 6398 1 75.926399230957 11628.037109375 1.06047265632097 0.814998725911469 0 1 1 1 0 +"4218" 3952 4664 4665 1 228.093368530273 16295.2470703125 1.70912634873584 1.36904621020128 1 1 1 1 1 +"998" 2074 2473 2474 1 140.982376098633 10313.3857421875 0.822655401721648 0.575460495815332 1 1 1 1 1 +"4415" 4546 5357 5358 1 693.181579589844 304518.28125 33.8883942575722 50.9999877532013 1 1 1 1 1 +"4229" 2236 2662 2663 1 77.1324234008789 8013.5390625 1.11487574723965 2.11637976960367 1 1 1 1 1 +"2724" 231 317 323 1 406.080993652344 5966.32373046875 1.65680276724275 4.81035547425016 0 1 1 1 0 +"4406" 2807 3327 3329 1 133.065093994141 9987.7939453125 1.84208302421823 3.10483821024362 1 1 1 1 1 +"2907" 1707 2039 2045 1 354.895080566406 2227.47802734375 1.88968623286299 99.7263680069395 1 1 1 1 1 +"2618" 669 828 834 1 376.052886962891 23584.380859375 5.90610213594322 15.4855194937035 0 1 1 1 0 +"4194" 2645 3138 3140 1 55.1235313415527 2486.26977539062 0.364007382117139 0.635935512467546 1 1 1 1 1 +"4414" 2759 3271 3273 1 110.605628967285 5277.31591796875 0.385240746082094 0.462263976212722 1 1 1 1 1 +"4381" 370 485 486 1 228.093170166016 2010.04846191406 0.433551289636228 0.994628267517472 1 1 1 1 1 +"4373" 1564 1878 1879 1 77.0214004516602 20642.853515625 1.19433702636083 1.57452711722313 1 1 1 1 1 +"4374" 773 954 956 1 180.033508300781 28176.2578125 2.23533680618679 2.29291252603698 1 1 1 1 1 +"343" 3030 3586 3589 1 119.957366943359 13538.408203125 3.53306023255383 2.62740569340997 0 1 1 1 0 +"489" 5483 6501 6504 1 126.094718933105 10116.8447265625 1.11889577661936 3.20474644473924 1 1 1 1 1 +"3155" 123 191 197 1 384.006378173828 4035.07348632812 0.812806699065179 3.5566065424861 0 1 1 1 0 +"4229" 2364 2809 2812 1 77.1325759887695 8391.08984375 1.56184609724607 1.93649705286524 1 1 1 1 1 +"4198" 5452 6414 6415 1 154.073059082031 16501.30859375 1.52209714589332 2.34022505240935 1 1 1 1 1 +"4384" 83 149 151 1 109.100852966309 1644.18957519531 0.381427923177049 0.266790836969119 1 1 1 1 1 +"2885" 1214 1465 1470 1 126.23950958252 1001.63287353516 0.707384252719684 30.397008953018 0 1 1 1 0 +"2611" 1046 1269 1274 1 55.0180740356445 4323.99072265625 1.33774968093456 3.90996650744575 0 1 1 1 0 +"2229" 2521 2991 2995 1 87.2574234008789 1076.11352539062 0.467490989465769 0.328031668143981 1 1 1 1 1 +"3994" 5206 6127 6128 1 58.0233955383301 3645.96899414062 0.579511317066254 1.1699984758412 1 1 1 1 1 +"4169" 5443 6400 6404 1 498.775756835938 1347.8564453125 0.922265485974668 1.47073121226004 1 1 1 1 1 +"747" 1225 1479 1483 1 78.9973602294922 1182.88537597656 0.574233215723596 3.95933480539689 1 1 1 1 1 +"4383" 2099 2501 2503 1 168.057266235352 29629.12109375 1.88916403540943 2.2013423232503 1 1 1 1 1 +"4570" 4650 5476 5479 1 232.857788085938 1547.0869140625 1.1205619937931 2.02925461546076 1 1 1 1 1 +"4218" 3892 4594 4595 1 115.05443572998 65387.078125 14.4497978785312 24.3780038708661 1 1 1 1 1 +"93" 2798 3313 3318 1 65.0388031005859 4936.966796875 1.53193039948543 0.822926293469916 0 1 1 1 0 +"4892" 5117 6022 6024 1 424.032287597656 3026.66088867188 0.785227041035913 0.315713748821613 0 1 1 1 0 +"4380" 4654 5483 5484 1 693.278747558594 3719.90673828125 0.421197993164517 0.536110233697499 1 1 1 1 1 +"3480" 2658 3152 3155 1 183.028762817383 1610.84985351562 0.582797905438403 2.64077906516714 1 1 1 1 1 +"1477" 3999 4713 4719 1 84.9594955444336 1477.26684570312 0.822129103488606 1.76808457335563 0 1 1 1 0 +"4996" 5088 5987 5990 1 209.095016479492 42137.4765625 0.828159909297891 0.360070956876229 1 1 1 1 1 +"4217" 4072 4804 4805 1 183.081237792969 9446.0439453125 1.64740490164641 3.06014184848424 1 1 1 1 1 +"325" 1207 1458 1462 1 58.0624008178711 2891.72290039062 0.653344438178249 0.555571629536952 0 1 1 1 0 +"42" 1903 2270 2274 1 61.9280586242676 2198.82055664062 0.557962621567259 0.170340336170004 1 1 1 1 1 +"337" 4005 4720 4726 1 95.9438858032227 5987.947265625 0.997754642077662 0.46269876691779 0 1 1 1 0 +"328" 185 268 270 1 57.9350929260254 166712.703125 4.04644804404076 2.63457372147377 0 1 1 1 0 +"4858" 5078 5973 5978 1 215.05192565918 1860.71557617188 0.674288916973849 0.96911031389817 1 1 1 1 1 +"4195" 904 1108 1109 1 254.106689453125 12122.017578125 1.4323608688109 2.22921331878088 1 1 1 1 1 +"4210" 3220 3810 3811 1 62.5581016540527 5719.2939453125 0.345029177407546 0.328739027896548 1 1 1 1 1 +"3707" 2335 2774 2778 1 417.994506835938 4737.0693359375 1.2793508877207 3.1196427715154 1 1 1 1 1 +"2247" 2270 2697 2702 1 271.060668945312 21179.95703125 6.24296281349436 6.09271018189262 1 1 1 1 1 +"4374" 773 954 956 1 153.070129394531 54836.46484375 4.35039915527825 4.46245267773068 1 1 1 1 1 +"4379" 2459 2921 2923 1 50.5832710266113 975.792053222656 0.422246691369642 1.75695890537608 1 1 1 1 1 +"4546" 2573 3054 3056 1 79.5753326416016 4447.22314453125 1.7455501031615 1.55781198106646 1 1 1 1 1 +"3064" 835 1024 1028 1 169.064437866211 4730.1396484375 1.69573265915918 5.58191965569836 0 1 1 1 0 +"3061" 920 1122 1127 1 385.059906005859 13710.40625 5.16840976107097 18.3381789451366 0 1 1 1 0 +"3064" 878 1073 1078 1 672.066040039062 2640.63818359375 1.01298062253417 2.71289878610425 0 1 1 1 0 +"4205" 3088 3656 3657 1 145.907608032227 2385.42138671875 0.377478939158531 0.744912560206056 1 1 1 1 1 +"2633" 836 1024 1029 1 366.064910888672 2020.05236816406 0.547931469813864 1.39965883726638 0 1 1 1 0 +"325" 1144 1388 1389 1 110.672203063965 4024.9296875 0.291369309451652 0.204381842349153 0 1 1 1 0 +"3622" 4928 5798 5803 1 97.1014709472656 1217.79431152344 0.704891564014235 1.04716049119601 1 1 1 1 1 +"2591" 5460 6421 6424 1 56.9650650024414 1190.05810546875 0.89364257838818 8.2927588279619 1 1 1 1 1 +"324" 4977 5854 5860 1 75.9356384277344 20164.7734375 4.62178343786519 3.88586568524893 0 1 1 1 0 +"4195" 775 954 958 1 422.190277099609 1268.1796875 0.511818916236995 1.41219352863601 1 1 1 1 1 +"4215" 4132 4874 4875 1 211.112228393555 47565.70703125 4.82189036562085 3.90969065541108 1 1 1 1 1 +"4222" 2948 3488 3493 1 234.040054321289 6785.5107421875 2.61555397874315 10.139362251673 1 1 1 1 1 +"4194" 2674 3173 3174 1 193.100494384766 22938.2265625 1.51740184432001 1.46515288166483 1 1 1 1 1 +"336" 3340 3950 3951 1 116.984817504883 5159.03125 0.447200165374859 0.394893039765293 0 1 1 1 0 +"2220" 4872 5735 5738 1 77.0389556884766 91626.0546875 1.51474733826064 1.01369307604984 0 1 1 1 0 +"1712" 5451 6407 6413 1 96.0892105102539 2467.99438476562 0.619750744930966 5.20567056670444 1 1 1 1 1 +"2618" 669 828 834 1 373.559661865234 3234.146484375 0.809908878813224 2.12354264154335 0 1 1 1 0 +"2569" 4988 5868 5873 1 370.12939453125 17660.005859375 6.70916981478579 8.82864483580612 0 1 1 1 0 +"2238" 1891 2256 2260 1 216.031707763672 3516.6572265625 1 0.959659004468225 1 1 1 1 1 +"1409" 3789 4468 4474 1 135.070907592773 1388.24841308594 0.547907430515073 0.167613509077 1 1 1 1 1 +"336" 3296 3894 3899 1 119.957466125488 7584.060546875 2.18466699722809 7.81300478184088 0 1 1 1 0 +"4233" 4962 5840 5843 1 197.036651611328 8349.1142578125 3.2173874920125 7.19557625086731 1 1 1 1 1 +"4214" 418 541 542 1 66.9811706542969 41425.66796875 2.731714447866 2.23187248219683 1 1 1 1 1 +"4202" 2674 3173 3174 1 128.062652587891 6634.3271484375 0.438871776919278 0.423760028394322 1 1 1 1 1 +"350" 4155 4895 4901 1 119.072639465332 2215.25927734375 0.381297295507377 0.193632870672861 0 1 1 1 0 +"2724" 231 317 323 1 157.917434692383 1643.25512695312 0.456319463142486 1.3248763648478 0 1 1 1 0 +"742" 475 604 608 1 117.070030212402 3685.36596679688 1.89724176949606 8.86900978731757 0 1 1 1 0 +"3480" 2610 3096 3099 1 354.861419677734 1565.81408691406 0.782794884583035 8.76930619603114 1 1 1 1 1 +"630" 303 401 407 1 130.933166503906 2841.70190429688 0.506865116507537 0.849896078477646 0 1 1 1 0 +"4667" 1664 1990 1995 1 90.008674621582 972.179870605469 0.754213110324856 2.66695235480303 1 1 1 1 1 +"347" 1722 2060 2063 1 117.959579467773 72043.4453125 6.00706149950317 4.75442224595617 0 1 1 1 0 +"355" 5192 6106 6111 1 94.9437026977539 111048.7578125 24.1574533132605 21.3016017082234 0 1 1 1 0 +"337" 4005 4720 4726 1 135.9931640625 6199.93017578125 1.0330767521877 0.479079043293972 0 1 1 1 0 +"96" 5222 6141 6146 1 106.065483093262 5414.02880859375 1.65522808566933 1.0612525189973 1 1 1 1 1 +"3038" 1615 1934 1938 1 773.318115234375 1455.45092773438 0.52320527536674 2.30102192624078 0 1 1 1 0 +"354" 850 1045 1046 1 60.0447387695312 8056.474609375 0.33928424108612 0.368439947420598 0 1 1 1 0 +"4377" 1021 1241 1245 1 367.110443115234 31019.22265625 16.4390811290815 47.6688122147669 1 1 1 1 1 +"1806" 2049 2438 2444 1 233.961761474609 3398.89135742188 1.14336056965918 3.46225302212339 0 1 1 1 0 +"4207" 1072 1304 1305 1 175.016815185547 8717.255859375 0.787160349947809 2.0551773966297 1 1 1 1 1 +"325" 1115 1353 1355 1 75.9355545043945 2455536.25 137.049246876661 100 0 1 1 1 0 +"330" 4865 5728 5730 1 152.983673095703 4775.7509765625 0.586170073043686 0.422893957446955 0 1 1 1 0 +"3049" 405 520 526 1 368.113586425781 9681.333984375 2.7258754512623 8.94995227503906 0 1 1 1 0 +"2618" 716 884 889 1 117.070106506348 1825.12561035156 0.722604349681753 2.54081891749857 0 1 1 1 0 +"4202" 2687 3187 3189 1 54.0419883728027 2582.56567382812 0.45757828101838 0.707470165597227 1 1 1 1 1 +"2633" 836 1024 1029 1 259.999053955078 9429.0966796875 2.55760636909319 6.53325562404025 0 1 1 1 0 +"4373" 1684 2018 2019 1 212.115798950195 12168.7880859375 0.700409301528723 0.736617585874511 1 1 1 1 1 +"4200" 1900 2270 2271 1 166.072952270508 10511.4150390625 1.61460328160648 3.01541571894787 1 1 1 1 1 +"4218" 3916 4622 4623 1 179.081283569336 33964.3359375 3.00345315920414 2.83034776604195 1 1 1 1 1 +"1125" 5431 6386 6390 1 78.9498977661133 3667.20825195312 1.54579031077096 11.2256821359908 1 1 1 1 1 +"4372" 3437 4062 4064 1 241.102966308594 1185.74438476562 0.547062302393849 1.40996009432479 1 1 1 1 1 +"345" 2190 2606 2609 1 95.9499969482422 1358.74523925781 0.396201557741124 0.265809761318443 0 1 1 1 0 +"1465" 655 814 818 1 95.0492401123047 4256.419921875 1.83401817681659 1.87965171940901 0 1 1 1 0 +"3141" 5450 6407 6412 1 403.57177734375 3235.68872070312 1.80244882827194 10.5145141026735 0 1 1 1 0 +"230" 2921 3460 3462 1 110.958824157715 10834.279296875 1.39124294467226 0.501831124417353 1 1 1 1 1 +"336" 3244 3838 3839 1 116.953666687012 5729.88330078125 0.582721515024166 0.448616213992041 0 1 1 1 0 +"2634" 1137 1374 1380 1 394.064575195312 23410.33203125 9.62890610290405 49.0765239996977 0 1 1 1 0 +"3064" 843 1031 1037 1 339.965087890625 6150.859375 3.08060037294042 13.6210293011037 0 1 1 1 0 +"205" 2100 2501 2504 1 113.963912963867 318404.0625 30.9636717000896 12.044555681575 1 1 1 1 1 +"240" 92 156 161 1 108.958526611328 64500.30078125 1.13399065155707 0.805494078163157 1 1 1 1 1 +"4401" 1889 2256 2258 1 193.100250244141 16640.958984375 0.998936716518705 1.38037156601553 1 1 1 1 1 +"3861" 5321 6260 6262 1 215.047424316406 6752.78857421875 1.36921094080816 2.76976864646416 0 1 1 1 0 +"4200" 1942 2319 2320 1 81.0334854125977 3692.63354492188 0.491320070887696 0.787297422410434 1 1 1 1 1 +"1158" 2051 2445 2447 1 109.101486206055 1663.78308105469 0.991847647224549 6.85466685673054 1 1 1 1 1 +"4214" 560 702 707 1 644.61181640625 1745.44958496094 0.612012664400534 2.35728068064774 1 1 1 1 1 +"4214" 80 145 147 1 367.014434814453 5967.0673828125 1.5441579457919 0.63756007359184 1 1 1 1 1 +"4407" 5242 6169 6170 1 69.8125 15327.6083984375 0.487870768325999 0.57438331841643 1 1 1 1 1 +"4217" 4072 4804 4805 1 233.036834716797 55042.78125 9.59954750967458 17.8316678744306 1 1 1 1 1 +"2225" 287 387 389 1 216.031661987305 2304.71557617188 0.883147243970991 0.735630918639713 1 1 1 1 1 +"203" 3826 4517 4518 1 114.091583251953 107789.8359375 11.908782847747 6.08554502662324 1 1 1 1 1 +"196" 1978 2361 2362 1 55.9346923828125 18143.54296875 1.27967193430503 0.620806222204544 1 1 1 1 1 +"4559" 4032 4755 4758 1 717.169311523438 29849.556640625 24.350324724016 30.2598710356588 1 1 1 1 1 +"4196" 1955 2333 2335 1 180.085083007812 3744.5322265625 1.59639977472051 4.79450480670738 1 1 1 1 1 +"326" 2063 2459 2461 1 60.0447006225586 3293.12084960938 0.757505063840216 0.533587697651249 0 1 1 1 0 +"3532" 4920 5791 5794 1 107.085723876953 13577.53515625 3.15847281977334 1.22072074539969 1 1 1 1 1 +"109" 2264 2690 2695 1 106.065269470215 3832.1279296875 1.08424096619901 0.634173793884883 0 1 1 1 0 +"4208" 4276 5042 5043 1 77.0163345336914 8178.78955078125 0.645485280418076 0.638257249166992 1 1 1 1 1 +"324" 4995 5875 5881 1 133.974884033203 22246.96875 3.83379083597629 2.28068322945947 0 1 1 1 0 +"4231" 4540 5350 5351 1 524.551696777344 1323.98693847656 0.407999353586981 0.529734890269101 1 1 1 1 1 +"4411" 4330 5105 5106 1 208.086303710938 4943.10888671875 0.483863593260209 0.611071582200753 1 1 1 1 1 +"2243" 3631 4286 4290 1 251.047653198242 37531.390625 17.3897022213562 14.50960000952 1 1 1 1 1 +"4383" 2120 2522 2527 1 155.086975097656 1240.73107910156 0.520782615570403 1.49548875724963 1 1 1 1 1 +"4214" 80 145 147 1 177.127883911133 5422.3427734375 1.4031940886956 0.57935817310036 1 1 1 1 1 +"1332" 4975 5854 5858 1 55.0543632507324 2265.41040039062 0.970602396380733 5.61907658102609 1 1 1 1 1 +"3067" 3037 3593 3597 1 405.085113525391 1752.599609375 0.753396880370472 4.79381894916794 0 1 1 1 0 +"4209" 1426 1717 1718 1 161.104827880859 6057.26025390625 0.297768410377949 0.31375162559526 1 1 1 1 1 +"336" 3484 4118 4119 1 116.972076416016 35518.31640625 3.39446313626195 3.08218420730928 0 1 1 1 0 +"2763" 131 205 207 1 54.0421600341797 3025.10083007812 0.51997899741618 1.91235099642414 0 1 1 1 0 +"85" 4124 4860 4865 1 140.951690673828 2239.06787109375 0.933623101374854 1.7511249698396 0 1 1 1 0 +"4231" 4564 5378 5379 1 94.3422164916992 3112.6572265625 0.352376848179705 0.291047184108785 1 1 1 1 1 +"4377" 1000 1220 1221 1 95.0496292114258 2432.05151367188 0.469445044765521 1.02688331651453 1 1 1 1 1 +"4381" 395 513 515 1 165.070465087891 54837.80078125 3.95571388111332 5.25570671436511 1 1 1 1 1 +"218" 688 856 857 1 92.9542465209961 9737.3583984375 0.615312438579402 0.232035367552048 1 1 1 1 1 +"355" 5167 6078 6082 1 119.957443237305 8038.568359375 1.81840802861474 1.70880372334185 0 1 1 1 0 +"337" 4061 4790 4792 1 136.297149658203 3374.7578125 0.37631721156812 0.257827832754755 0 1 1 1 0 +"3312" 4875 5735 5741 1 422.193450927734 1281.7626953125 0.882936608040793 8.01889282368889 1 1 1 1 1 +"4203" 2864 3390 3395 1 192.09260559082 1500.60107421875 0.64032102403659 2.28693213782629 1 1 1 1 1 +"3921" 5294 6225 6230 1 299.064147949219 6269.802734375 1.83706470944768 8.13602180460808 1 1 1 1 1 +"328" 216 303 306 1 148.968185424805 2356.48559570312 0.396479077870824 0.307493591652555 0 1 1 1 0 +"4230" 2802 3320 3323 1 274.071380615234 26070.734375 4.83768893009226 6.53416398046448 1 1 1 1 1 +"4411" 4282 5049 5050 1 65.0387496948242 1936.07946777344 0.522588692243492 1.05755580107477 1 1 1 1 1 +"4204" 5116 6022 6023 1 252.05046081543 446295.9375 1.1968031549445 2.06430408544437 1 1 1 1 1 +"2061" 2604 3089 3092 1 92.0577239990234 2501.40307617188 0.509186303573974 0.184596793317055 1 1 1 1 1 +"32" 2578 3061 3062 1 60.9867477416992 18760.732421875 4.5397959902859 1.32920411143588 1 1 1 1 1 +"4233" 4955 5833 5835 1 183.080963134766 31316.822265625 3.32849993845035 3.89503722006729 1 1 1 1 1 +"228" 4480 5280 5281 1 114.055267333984 3611.55981445312 0.678006303514122 0.329659941020293 1 1 1 1 1 +"4198" 5392 6344 6345 1 155.085510253906 74836.2265625 3.3285818668046 3.19172134588335 1 1 1 1 1 +"4398" 3083 3649 3651 1 67.7598648071289 13808.37890625 1.21739542203985 1.96561708013588 1 1 1 1 1 +"4197" 3334 3943 3944 1 368.113342285156 359869.78125 29.6208095249157 24.724796315909 1 1 1 1 1 +"3654" 5211 6127 6133 1 454.247161865234 1689.21252441406 0.896785709135961 1.68014695026406 1 1 1 1 1 +"1332" 4975 5854 5858 1 119.085830688477 5748.32763671875 2.46283877677032 14.2580316564194 1 1 1 1 1 +"2628" 2421 2872 2878 1 211.112380981445 2471.1201171875 0.941647258547775 3.56924527122364 0 1 1 1 0 +"4218" 3988 4706 4707 1 105.069770812988 13347.779296875 1.25399804525636 1.31437456472562 1 1 1 1 1 +"1136" 2093 2494 2496 1 152.043563842773 2134.5869140625 0.769280305034971 0.708604133978241 1 1 1 1 1 +"4219" 3478 4111 4112 1 183.117004394531 38100.6796875 3.23092484758109 2.68653963209871 1 1 1 1 1 +"4206" 3184 3768 3769 1 291.078643798828 36398.98046875 2.35488865874437 2.10767757355219 1 1 1 1 1 +"721" 121 191 195 1 123.964668273926 21579.767578125 5.933520017158 57.9127795515099 0 1 1 1 0 +"4415" 4463 5259 5261 1 118.073616027832 2361.873046875 0.800740166130149 1.2732466037955 1 1 1 1 1 +"4226" 1763 2109 2111 1 68.2136611938477 19110.98828125 0.969593319962914 1.03158899977342 1 1 1 1 1 +"4227" 5201 6120 6122 1 694.185241699219 318573.65625 30.0900927857902 50.4812036151476 1 1 1 1 1 +"4535" 4414 5203 5204 1 716.039367675781 2888.88842773438 1.65235918663158 1.93780354681341 1 1 1 1 1 +"4394" 3934 4643 4644 1 273.068389892578 65113.21484375 7.13294396793788 6.96774678597983 1 1 1 1 1 +"4192" 3815 4503 4505 1 181.063842773438 3317.48461914062 0.66200511727698 1.07167179366649 1 1 1 1 1 +"239" 1481 1780 1782 1 108.958435058594 39354.25 3.31073069390916 1.33788402750032 1 1 1 1 1 +"22" 4338 5112 5115 1 120.023956298828 1630.5693359375 0.428606293406112 0.140788519116485 1 1 1 1 1 +"332" 1687 2018 2022 1 118.980194091797 2071.83813476562 0.395296942859608 0.36528340056853 0 1 1 1 0 +"354" 798 982 985 1 117.959602355957 75122.5234375 16.1613643407661 14.2260532242365 0 1 1 1 0 +"93" 2798 3313 3318 1 119.060386657715 1462.56713867188 0.453831502864896 0.243790368438368 0 1 1 1 0 +"2634" 1177 1423 1427 1 369.041809082031 2124.03588867188 0.612908495834149 1.80292579071634 0 1 1 1 0 +"3962" 4986 5868 5871 1 328.998657226562 2925.51416015625 1.10589250692192 1.17577494253562 1 1 1 1 1 +"4384" 227 317 319 1 59.5573806762695 4321.5126953125 0.48452687386409 0.485222818577417 1 1 1 1 1 +"245" 3125 3698 3700 1 92.9482727050781 247598.78125 31.8240744439465 9.44448823095015 1 1 1 1 1 +"336" 3358 3971 3972 1 93.0701522827148 2741.70092773438 0.297376164089258 0.208777308010247 0 1 1 1 0 +"2758" 271 366 370 1 77.0387420654297 19641.755859375 3.42076072338325 17.0187652560994 0 1 1 1 0 +"364" 5615 6706 6707 1 246.304626464844 1283.36059570312 0.80749517344269 0.575942855282636 1 1 1 1 1 +"4404" 3701 4370 4372 1 234.040313720703 11275.33984375 2.57616994141005 4.99670508529595 1 1 1 1 1 +"325" 1306 1577 1578 1 59.9304962158203 31159.833984375 1.56971813753585 1.79110605537614 0 1 1 1 0 +"4403" 1109 1346 1348 1 193.101333618164 22782.32421875 1.53606858465144 1.78379866262025 1 1 1 1 1 +"357" 3502 4139 4140 1 118.960121154785 3277.62109375 0.377228265493626 0.223237109235622 0 1 1 1 0 +"4564" 3664 4328 4329 1 76.4896545410156 1966.99755859375 0.446332695110197 0.761640882623134 1 1 1 1 1 +"2763" 133 205 209 1 341.960510253906 8189.36767578125 1.22995436537154 4.84934496266116 0 1 1 1 0 +"336" 3380 3992 3997 1 93.0700988769531 4476.53955078125 0.829724057414882 0.797275245008252 0 1 1 1 0 +"4212" 1678 2011 2012 1 153.070281982422 109375.3046875 6.39177645463301 5.90882457532046 1 1 1 1 1 +"4191" 4853 5714 5716 1 229.100479125977 30124.837890625 1.65608330968484 1.56491922554523 1 1 1 1 1 +"228" 4444 5238 5239 1 174.021301269531 2788.744140625 0.495002714288729 0.287626010689757 1 1 1 1 1 +"4214" 250 345 346 1 168.056915283203 49242.265625 3.21512601403848 3.47028969842146 1 1 1 1 1 +"2613" 536 674 679 1 324.983093261719 2222.26123046875 0.614131108925332 1.44895770858741 0 1 1 1 0 +"3320" 2865 3390 3396 1 421.330474853516 2838.62963867188 2.602251377526 24.4255584988562 1 1 1 1 1 +"355" 5251 6176 6180 1 137.967727661133 2462.61547851562 0.59605106910731 0.46601554876967 0 1 1 1 0 +"4193" 4419 5203 5209 1 369.116027832031 30520.830078125 15.9584073751134 67.3404025824588 1 1 1 1 1 +"4215" 4144 4888 4889 1 115.054481506348 66688.9609375 15.7734464576583 22.0361805712884 1 1 1 1 1 +"884" 1599 1913 1919 1 153.97265625 1643.23034667969 0.625121401231896 0.325747547300833 1 1 1 1 1 +"352" 2526 2998 3001 1 58.0624771118164 3600.60693359375 0.942800930930582 0.685230641601999 0 1 1 1 0 +"340" 324 429 432 1 138.034240722656 3384.88427734375 0.520557000495308 0.385595387089845 0 1 1 1 0 +"2566" 4915 5784 5788 1 65.0388107299805 241357.09375 45.1737398286978 19.8747289667102 1 1 1 1 1 +"4905" 5312 6246 6251 1 329.085266113281 4801.29833984375 0.770967073717276 0.528579605836473 1 1 1 1 1 +"2629" 1261 1521 1525 1 183.080963134766 2097.68701171875 0.663069254877977 2.02332751261566 0 1 1 1 0 +"756" 3718 4391 4392 1 105.954299926758 1620.67578125 0.815741280407563 3.30453794229506 1 1 1 1 1 +"4408" 2734 3243 3244 1 169.061935424805 3973.61694335938 0.746379704627628 1.36102013338465 1 1 1 1 1 +"758" 4469 5266 5268 1 140.029922485352 1228.58410644531 0.494016179698775 3.12942336001735 1 1 1 1 1 +"3396" 5289 6218 6224 1 55.0543174743652 1559.33508300781 0.569956266123348 0.95425096039499 1 1 1 1 1 +"243" 2226 2648 2651 1 236.953842163086 4963.31396484375 0.44310643778216 0.1938976107174 1 1 1 1 1 +"318" 4301 5070 5072 1 149.948135375977 3625.95727539062 0.375413647273697 0.267320226026163 0 1 1 1 0 +"324" 4963 5840 5844 1 58.3968849182129 1184.59716796875 0.321766204418966 0.238078623531812 0 1 1 1 0 +"37" 2908 3446 3447 1 103.054458618164 5337.8671875 1.55777915462323 0.400169254327926 1 1 1 1 1 +"353" 3130 3705 3706 1 119.060859680176 6627.81103515625 0.855198783723513 0.471553741852806 0 1 1 1 0 +"4412" 5111 6015 6017 1 81.2083587646484 13744.69921875 0.408324728032956 1.12418973447951 1 1 1 1 1 +"4413" 2279 2711 2713 1 291.078674316406 7021.04833984375 1.2108624815212 2.57253404257146 1 1 1 1 1 +"4398" 3124 3698 3699 1 91.0543212890625 92827.0859375 6.78617249047808 7.60473440401409 1 1 1 1 1 +"330" 4794 5644 5647 1 150.95783996582 4728.0009765625 1.29101712130509 0.838827425164707 0 1 1 1 0 +"4199" 1530 1836 1839 1 92.0578384399414 4681.3447265625 2.06228669414584 5.83841903060041 1 1 1 1 1 +"4415" 4535 5343 5345 1 198.039840698242 5717.56298828125 1.90630158426656 3.40417342719887 1 1 1 1 1 +"2633" 836 1024 1029 1 367.109954833984 56359.51953125 15.2873038647149 39.0505220652747 0 1 1 1 0 +"4410" 5373 6316 6322 1 375.573791503906 1776.16394042969 0.674597384745836 1.92714228972652 1 1 1 1 1 +"2241" 5050 5945 5946 1 187.112411499023 6037.78564453125 1.38847766725947 0.995515756975597 1 1 1 1 1 +"333" 1597 1913 1917 1 77.9334182739258 14572.30078125 4.02598537690202 2.82836970873617 0 1 1 1 0 +"93" 2840 3362 3367 1 80.0495910644531 13080.02734375 3.83845250784981 1.99423131586498 0 1 1 1 0 +"2220" 4843 5700 5704 1 144.087860107422 1868.63354492188 0.459769024711602 0.182618869655263 1 1 1 1 1 +"21" 1777 2123 2127 1 64.9345016479492 4987.30859375 1.30249846401197 0.382062929328573 1 1 1 1 1 +"1413" 4890 5756 5759 1 67.7415390014648 16939.71484375 1.17630925618882 1.23356046159168 1 1 1 1 1 +"238" 1894 2263 2264 1 74.9376831054688 1151339.875 122.719145213293 32.4211727170905 1 1 1 1 1 +"349" 140 212 217 1 112.954200744629 27733.666015625 3.15382806500095 1.87320038885046 0 1 1 1 0 +"325" 1165 1409 1413 1 118.086448669434 552100.6875 106.756184956641 100 0 1 1 1 0 +"329" 736 912 913 1 116.953590393066 8645.279296875 0.576416912609097 0.330797212626097 0 1 1 1 0 +"4284" 5101 6001 6005 1 331.086700439453 55638.9140625 0.247394943539278 0.24318897630697 0 1 1 1 0 +"2642" 2137 2543 2547 1 179.081848144531 1567.9228515625 0.569868349405791 1.98963520403181 0 1 1 1 0 +"4537" 1681 2011 2015 1 498.812042236328 1097.86218261719 0.851203519111765 0.678600320157178 1 1 1 1 1 +"326" 2148 2557 2560 1 77.9405136108398 1680.06396484375 0.360529314471956 0.308530797816723 0 1 1 1 0 +"346" 2016 2403 2406 1 59.0732192993164 163419.59375 20.3472066611331 10.9588685989527 0 1 1 1 0 +"4219" 3436 4062 4063 1 216.029663085938 6071.18994140625 0.891180459248542 1.68094269151282 1 1 1 1 1 +"744" 5230 6155 6156 1 146.06037902832 26068.419921875 13.4862325205187 62.1385201131499 1 1 1 1 1 +"3861" 5325 6260 6266 1 384.559295654297 8812.955078125 1.59784408421429 3.43655018033341 0 1 1 1 0 +"3034" 2463 2921 2927 1 57.0702857971191 1367.62512207031 0.546495494659667 3.0001910188799 0 1 1 1 0 +"4398" 3083 3649 3651 1 181.065444946289 4767.0595703125 0.420280797397798 0.678588976812497 1 1 1 1 1 +"309" 2483 2949 2951 1 137.967529296875 1939.71997070312 0.540114026967588 0.365451891995848 0 1 1 1 0 +"86" 4285 5049 5053 1 166.01171875 2025.27075195312 0.659934685192285 0.390551037609014 0 1 1 1 0 +"4198" 5382 6330 6333 1 95.0493240356445 1313.82360839844 0.582932212925935 1.10050290004485 1 1 1 1 1 +"3312" 4919 5791 5793 1 73.6912460327148 999.504821777344 0.610449835595659 3.60564509998081 1 1 1 1 1 +"318" 4236 4993 4996 1 118.960540771484 2181.712890625 0.57405777761818 0.432921121330415 0 1 1 1 0 +"353" 3087 3649 3655 1 138.034301757812 1817.54235839844 0.573897945172426 0.435160146340513 0 1 1 1 0 +"2631" 2300 2732 2737 1 81.0336151123047 6010.2353515625 2.21846505228634 7.49454818493648 0 1 1 1 0 +"4858" 5122 6029 6030 1 313.104095458984 16719.9375 0.910631193860144 0.918569309218327 1 1 1 1 1 +"333" 1602 1920 1923 1 118.967765808105 14982.353515625 3.45511358073361 2.62865572256336 0 1 1 1 0 +"2061" 2604 3089 3092 1 107.085433959961 2255.13916015625 0.459056752565525 0.166423181219417 1 1 1 1 1 +"4214" 443 569 571 1 208.086715698242 3440.22216796875 0.449228176441534 0.881658305749253 1 1 1 1 1 +"562" 5492 6508 6514 1 68.5844345092773 1702.45104980469 0.949856375424615 3.81149812913413 0 1 1 1 0 +"4860" 4971 5847 5853 1 152.062118530273 10767.9453125 4.26081513036274 4.88328176522712 1 1 1 1 1 +"690" 1961 2340 2342 1 114.94881439209 2252.166015625 0.923146141715957 4.17343352873628 0 1 1 1 0 +"4406" 2800 3320 3321 1 92.057731628418 5979.07421875 0.374795835086262 0.510830708477258 1 1 1 1 1 +"2642" 2137 2543 2547 1 275.001403808594 1696.59106445312 0.616633368505999 2.15291033313139 0 1 1 1 0 +"212" 1108 1346 1347 1 148.962265014648 13514.4794921875 0.879789298032652 0.339274982789259 1 1 1 1 1 +"4546" 2573 3054 3056 1 156.968612670898 2317.63989257812 0.909681484851008 0.81184304792431 1 1 1 1 1 +"1409" 3822 4510 4513 1 205.034255981445 1612.63024902344 0.871297921027196 0.436989049640402 1 1 1 1 1 +"236" 856 1052 1053 1 100.943305969238 57854.41015625 3.4317429285333 1.10327613051439 1 1 1 1 1 +"3307" 5060 5952 5957 1 89.0599517822266 2612.95068359375 1.53130676595857 12.4997337163831 1 1 1 1 1 +"749" 4799 5651 5653 1 103.955795288086 1216.25256347656 0.618693117616161 2.8975698401175 1 1 1 1 1 +"337" 3911 4615 4617 1 96.9953002929688 5410.5224609375 1.20172624750371 1.0321681949174 0 1 1 1 0 +"4192" 3772 4454 4455 1 117.06999206543 15125.4423828125 3.4385913421542 4.63890182626498 1 1 1 1 1 +"318" 4306 5077 5078 1 135.993225097656 3487.51586914062 0.4663656281007 0.335155018138231 0 1 1 1 0 +"4412" 5111 6015 6017 1 255.057281494141 25580.8984375 0.759952126350044 2.09228175637122 1 1 1 1 1 +"3171" 5120 6022 6027 1 339.964477539062 37234.328125 2.40150373827708 16.7013496361512 0 1 1 1 0 +"2591" 5460 6421 6424 1 178.078033447266 1148.69641113281 0.862583110784863 8.00453545948301 1 1 1 1 1 +"4404" 3691 4356 4360 1 53.0389556884766 2840.82348632812 1.31758927631184 3.83342270948176 1 1 1 1 1 +"4378" 4438 5231 5232 1 211.11164855957 38523.14453125 4.54346564899388 5.28563585428745 1 1 1 1 1 +"3998" 5306 6239 6244 1 375.082244873047 1986.45104980469 0.832308543544044 3.85916789915878 0 1 1 1 0 +"4374" 647 807 809 1 171.079711914062 5022.38232421875 0.483624271002345 0.431138345576211 1 1 1 1 1 +"350" 4111 4846 4850 1 118.961959838867 1477.68395996094 0.384530010570997 0.284765467011125 0 1 1 1 0 +"353" 3094 3663 3664 1 116.953628540039 6373.68212890625 0.517298157711231 0.4309561219727 0 1 1 1 0 +"2634" 1135 1374 1378 1 136.084762573242 1483.5869140625 0.423249006203369 1.11653796728711 0 1 1 1 0 +"2605" 1791 2137 2143 1 215.026138305664 9177.4638671875 3.80214391729062 11.2191620340198 0 1 1 1 0 +"2763" 86 149 154 1 405.073883056641 2447.44580078125 0.411832594487034 0.78101892143007 0 1 1 1 0 +"3249" 5426 6379 6384 1 97.1010894775391 1789.87768554688 0.917388602846476 5.6275120371453 1 1 1 1 1 +"1409" 3789 4468 4474 1 177.091979980469 1346.46130371094 0.531415088430982 0.162568241983225 1 1 1 1 1 +"84" 3516 4153 4156 1 60.9866905212402 19379.25390625 8.0017145071417 3.1656592636108 0 1 1 1 0 +"329" 724 898 899 1 90.0372924804688 10745.0888671875 0.534818564158808 0.374585560140225 0 1 1 1 0 +"1574" 3626 4279 4284 1 131.162841796875 2607.98510742188 1.39280154690144 2.28443175715237 1 1 1 1 1 +"4341" 5019 5903 5909 1 153.565612792969 1106.56030273438 0.58778203100254 4.03650354854793 1 1 1 1 1 +"4392" 3310 3915 3916 1 175.015930175781 10844.3671875 1.03215000531893 1.10261470035371 1 1 1 1 1 +"2618" 794 975 980 1 439.040344238281 3612.83447265625 0.903158041534234 2.53911468268562 0 1 1 1 0 +"742" 468 597 600 1 129.101638793945 1243.69885253906 0.542791441946023 2.61258309385721 0 1 1 1 0 +"4197" 3298 3901 3902 1 241.100738525391 17706.505859375 1.27525867095423 1.15137250621521 1 1 1 1 1 +"1606" 3804 4489 4492 1 53.019172668457 1100.60437011719 0.409983597292989 0.266382629619097 1 1 1 1 1 +"4228" 2038 2431 2432 1 92.5461502075195 1021.11883544922 0.394938180058076 1.20326306373722 1 1 1 1 1 +"4226" 1783 2130 2134 1 116.057441711426 11687.3818359375 4.369964225303 13.3597668429203 1 1 1 1 1 +"2618" 716 884 889 1 233.036758422852 40659.6640625 16.0979879639637 56.6036896546736 0 1 1 1 0 +"4214" 586 737 738 1 138.994644165039 7457.19873046875 0.480128511344243 0.444574432775819 1 1 1 1 1 +"2634" 1177 1423 1427 1 135.080718994141 4695.69970703125 1.35498381156119 3.98580746795171 0 1 1 1 0 +"4375" 3821 4510 4512 1 183.117538452148 19195.595703125 1.35336195942659 1.92618637375812 1 1 1 1 1 +"314" 2401 2851 2855 1 91.0485687255859 2605.29321289062 0.55623073037828 0.47697778648458 0 1 1 1 0 +"3608" 4929 5798 5804 1 97.1010513305664 1402.943359375 1 20.0314132891641 1 1 1 1 1 +"2738" 5196 6113 6116 1 67.0544204711914 1067.13317871094 0.478537677235569 2.27879957663221 0 1 1 1 0 +"2243" 3631 4286 4290 1 228.093856811523 16736.814453125 7.75479444345622 6.47043658932894 1 1 1 1 1 +"334" 5379 6323 6329 1 114.971061706543 72040.578125 21.1327184387275 13.9912506831611 0 1 1 1 0 +"319" 3671 4335 4337 1 97.0141220092773 6792.904296875 0.643539724106093 0.497346432836236 0 1 1 1 0 +"4231" 4468 5266 5267 1 168.057540893555 11586.6357421875 2.77622168095194 4.58586584340029 1 1 1 1 1 +"238" 1894 2263 2264 1 100.943473815918 37235.37109375 3.96884795840565 1.04852999850755 1 1 1 1 1 +"4391" 2153 2564 2566 1 215.026962280273 9639.09375 2.02197236717739 3.54028323092236 1 1 1 1 1 +"4394" 3983 4699 4701 1 230.104629516602 2212.83715820312 0.584258921138288 1.13161233644261 1 1 1 1 1 +"4564" 3628 4286 4287 1 79.5706405639648 4660.521484375 1.64211876591302 1.68064990216651 1 1 1 1 1 +"734" 2452 2914 2915 1 67.8385314941406 5464.40966796875 1.86693027974566 12.4711765006897 1 1 1 1 1 +"4410" 5286 6218 6221 1 291.077453613281 2362.11254882812 0.868213245708092 1.56454996002085 1 1 1 1 1 +"755" 2866 3397 3398 1 123.973243713379 2273.67211914062 1.09374951187421 4.06680713054319 1 1 1 1 1 +"2763" 86 149 154 1 275.045623779297 2856.88940429688 0.480729818473826 0.911678894166601 0 1 1 1 0 +"4405" 4618 5441 5442 1 221.107666015625 6582.22119140625 0.87806572392834 0.683463804363373 1 1 1 1 1 +"351" 3647 4307 4309 1 118.967826843262 19166.83984375 2.0911724110082 1.52531548627547 0 1 1 1 0 +"4208" 4252 5014 5015 1 76.9553680419922 1424.54760742188 0.398945434400656 0.535671964031601 1 1 1 1 1 +"4390" 4042 4769 4770 1 91.054443359375 59199.890625 4.940062531583 6.7543409841789 1 1 1 1 1 +"352" 2527 2998 3002 1 114.971099853516 27279.404296875 5.79549698255258 4.90969287033991 0 1 1 1 0 +"310" 2651 3145 3147 1 115.054634094238 2908.22729492188 0.610334362794343 0.552182911468601 0 1 1 1 0 +"4222" 3006 3558 3561 1 77.1326675415039 9318.3701171875 1.78991283423423 2.66806777624754 1 1 1 1 1 +"4218" 4000 4720 4721 1 292.080474853516 5242.4658203125 1.09908150286503 1.99363930615766 1 1 1 1 1 +"3315" 4597 5413 5417 1 81.0703582763672 1187.26843261719 0.882757903984984 8.79267984519262 1 1 1 1 1 +"4557" 1100 1332 1337 1 717.170471191406 40180.859375 31.0643958322421 32.8780425126326 1 1 1 1 1 +"4401" 1889 2256 2258 1 166.075164794922 8727.1884765625 0.52388260853253 0.723922391468941 1 1 1 1 1 +"1520" 4896 5763 5766 1 147.116989135742 6674.1201171875 1.5575012200918 3.42056870047299 1 1 1 1 1 +"325" 1207 1458 1462 1 77.9335327148438 15414.83203125 3.48276619855542 2.96157123128329 0 1 1 1 0 +"235" 4768 5616 5617 1 108.958488464355 27589.962890625 5.6264159206251 3.60161183646389 1 1 1 1 1 +"324" 4984 5868 5869 1 135.969940185547 12962.5693359375 1.82454692238906 1.30209414024358 0 1 1 1 0 +"4410" 5286 6218 6221 1 91.0543823242188 9800.0087890625 3.60207113879521 6.49105537614556 1 1 1 1 1 +"999" 1500 1801 1804 1 145.101715087891 5545.66064453125 1.00547056809752 1.1546305627236 1 1 1 1 1 +"322" 514 653 654 1 93.9461059570312 995730.4375 59.8331857105184 31.143809973831 0 1 1 1 0 +"232" 4156 4902 4903 1 68.4569625854492 7800.2060546875 1.34754506607853 0.610734714394128 1 1 1 1 1 +"4397" 2656 3152 3153 1 696.188598632812 7757.125 1.34689618382896 2.68643073691998 1 1 1 1 1 +"3053" 1881 2242 2248 1 396.562835693359 1333.02551269531 0.545551550789625 1.8797840557539 0 1 1 1 0 +"3994" 5087 5987 5989 1 165.73161315918 1365.18774414062 0.293470396527106 0.913268518843712 1 1 1 1 1 +"45" 2374 2823 2824 1 105.070106506348 29379.7734375 8.77443763622157 2.24996395856182 1 1 1 1 1 +"2918" 3015 3565 3571 1 59.5967330932617 996.158752441406 0.68113185877352 1.4265080289541 0 1 1 1 0 +"217" 4156 4902 4903 1 132.975173950195 2713.07055664062 0.468703623582732 0.212425974381187 1 1 1 1 1 +"355" 5185 6099 6103 1 115.054344177246 14239.318359375 1.49054683393037 0.982148788481478 0 1 1 1 0 +"2618" 675 835 841 1 119.049156188965 5179.044921875 2.13567357672052 6.88720741450518 0 1 1 1 0 +"4227" 5382 6330 6333 1 695.187438964844 89880.1796875 39.8790611680999 75.2866654019271 1 1 1 1 1 +"4388" 488 618 623 1 370.117584228516 3809.90209960938 1.61861345013497 7.45873913740053 1 1 1 1 1 +"2633" 836 1024 1029 1 251.047210693359 6618.44140625 1.79522688854815 4.58580190750539 0 1 1 1 0 +"3316" 2714 3215 3220 1 149.023742675781 12782.1435546875 9.75857909573007 100 1 1 1 1 1 +"3069" 2307 2739 2745 1 68.5836410522461 2286.23901367188 0.89272565347838 5.44592581788609 0 1 1 1 0 +"48" 3883 4580 4584 1 62.9380226135254 2856.35693359375 0.758659408643655 0.221166576320034 1 1 1 1 1 +"1806" 2049 2438 2444 1 224.968658447266 1253.13244628906 0.421543990960116 1.27649316881259 0 1 1 1 0 +"3994" 5136 6043 6046 1 50.088493347168 2487.65771484375 0.267550606705955 0.816125691740573 0 1 1 1 0 +"322" 548 688 693 1 242.316955566406 5395.64697265625 0.485443996715057 0.2414075739717 0 1 1 1 0 +"4381" 454 583 584 1 369.116485595703 41557.9609375 8.10059695128451 16.1758837817046 1 1 1 1 1 +"201" 4804 5658 5659 1 113.972030639648 5408.638671875 0.96432716456538 0.528900533788602 1 1 1 1 1 +"2220" 4882 5749 5750 1 330.784515380859 4289.93017578125 0.38271700073287 0.36172451180098 1 1 1 1 1 +"1545" 368 478 483 1 57.9352531433105 1198.32214355469 0.428032169686165 0.167168679860866 1 1 1 1 1 +"336" 3296 3894 3899 1 118.07307434082 1392.06103515625 0.400997563618627 1.43408395239825 0 1 1 1 0 +"1867" 5340 6281 6284 1 167.409606933594 1416.28051757812 0.329769888681413 0.737206466757129 1 1 1 1 1 +"744" 4987 5868 5872 1 96.4774856567383 958.539855957031 0.538921136281044 2.52696406942148 1 1 1 1 1 +"3049" 499 632 636 1 394.347686767578 2326.23803710938 0.574002239376404 2.19283487189495 0 1 1 1 0 +"4736" 5103 6001 6007 1 693.185302734375 98180.875 4.55633533961455 15.9876299705954 1 1 1 1 1 +"2618" 669 828 834 1 368.112396240234 11831.2490234375 2.96283228908355 7.7684056443853 0 1 1 1 0 +"3071" 667 828 832 1 644.572509765625 2803.5966796875 0.586342892531436 3.88594919943748 0 1 1 1 0 +"4412" 5110 6015 6016 1 116.057060241699 205060.15625 0.703480569396948 0.748278556497104 1 1 1 1 1 +"55" 3590 4237 4242 1 62.9347457885742 6608.06982421875 1.82374662056449 0.531792628353571 1 1 1 1 1 +"322" 568 716 717 1 118.086448669434 707509.5 37.3401926874033 23.9525775801298 0 1 1 1 0 +"4410" 5309 6246 6248 1 234.555053710938 3895.55810546875 0.385227902964768 0.733439517236007 1 1 1 1 1 +"4373" 1396 1682 1683 1 91.0543823242188 108686.1953125 5.06849209138424 9.99696307701824 1 1 1 1 1 +"4537" 1691 2025 2027 1 79.6917037963867 3910.55126953125 0.741807435757194 0.909026288563974 1 1 1 1 1 +"4197" 3298 3901 3902 1 232.833251953125 9660.7626953125 0.695787836012005 0.628194893153525 1 1 1 1 1 +"3275" 4398 5182 5185 1 233.036651611328 1903.73303222656 0.862615410365358 0.313353768196233 1 1 1 1 1 +"2724" 183 261 267 1 227.000961303711 5111.27734375 0.997818085317916 3.41899358252317 0 1 1 1 0 +"340" 277 373 377 1 60.0446014404297 10225.1376953125 1.67881643944558 1.3078626759885 0 1 1 1 0 +"316" 4667 5497 5499 1 59.9305076599121 25139.0234375 6.22553688368014 4.49472823348553 0 1 1 1 0 +"4373" 1360 1640 1641 1 253.053939819336 1557.62744140625 0.658081204623124 1.39539656541887 1 1 1 1 1 +"330" 4794 5644 5647 1 153.682601928711 1430.33142089844 0.390563022866183 0.253765011655461 0 1 1 1 0 +"4376" 1786 2137 2138 1 193.101196289062 4267.2099609375 0.613815280304248 1.5640912511576 1 1 1 1 1 +"4373" 1336 1612 1613 1 328.081787109375 21889.765625 2.9890979520088 8.03801873935968 1 1 1 1 1 +"4200" 1864 2228 2229 1 193.100067138672 4330.5849609375 0.606110626845822 0.962284319036935 1 1 1 1 1 +"4408" 2681 3180 3182 1 179.025985717773 8725.013671875 0.743606448169083 0.796373441683307 1 1 1 1 1 +"4220" 4757 5602 5604 1 340.082305908203 9441.8505859375 2.60167564459952 4.77165431569801 1 1 1 1 1 +"350" 4155 4895 4901 1 59.9304695129395 19991.958984375 3.44107796798258 1.74747057742168 0 1 1 1 0 +"1458" 3372 3985 3988 1 91.0542907714844 8090.15478515625 3.42030019164133 14.3655629908493 1 1 1 1 1 +"4228" 2081 2480 2482 1 339.079925537109 3047.30932617188 1.12802812727658 3.70674189472472 1 1 1 1 1 +"1161" 1488 1787 1790 1 135.117004394531 95581.484375 16.4179815635493 3.15199947945659 1 1 1 1 1 +"315" 2723 3229 3231 1 100.112602233887 3338.35961914062 0.388415377679184 0.229449808090388 0 1 1 1 0 +"85" 4071 4797 4803 1 106.073608398438 3040.6953125 1.02299021740586 0.56148609525977 0 1 1 1 0 +"332" 1637 1962 1964 1 135.969955444336 24304.98046875 2.95854098423795 1.3773493551267 0 1 1 1 0 +"4229" 2364 2809 2812 1 180.03369140625 11128.57421875 2.07137815648751 2.56825413366931 1 1 1 1 1 +"4203" 2905 3439 3443 1 245.035903930664 1422.83435058594 0.639314277778393 2.18664919257189 1 1 1 1 1 +"2918" 3015 3565 3571 1 161.220901489258 1091.99304199219 0.746659353880082 1.5637435681272 0 1 1 1 0 +"353" 3089 3656 3658 1 103.941825866699 15507.4150390625 2.01596435866474 1.12120119673022 0 1 1 1 0 +"3792" 5252 6176 6181 1 133.086074829102 45924.36328125 22.7280407880595 60.6872348561652 1 1 1 1 1 +"311" 1018 1241 1242 1 92.9612350463867 4407.4599609375 0.292589795691663 0.206110680029377 0 1 1 1 0 +"4892" 5117 6022 6024 1 243.116622924805 3557.00537109375 0.922817885857841 0.371034463916901 0 1 1 1 0 +"635" 386 499 504 1 83.9294128417969 3227.607421875 0.992851768868403 0.608720452432567 0 1 1 1 0 +"724" 3318 3922 3925 1 89.1977615356445 1233.60131835938 0.523043729802285 2.3858386424465 1 1 1 1 1 +"2758" 270 366 369 1 261.994018554688 4706.1201171875 1.13538453636714 3.96567369136069 0 1 1 1 0 +"4215" 4118 4853 4858 1 275.074554443359 1457.94641113281 0.663948554494661 3.24612745472364 1 1 1 1 1 +"3249" 5447 6407 6409 1 68.500732421875 8253.541015625 0.676252508754185 2.9597518965383 1 1 1 1 1 +"882" 5365 6309 6313 1 155.155090332031 11686.259765625 5.10416330108237 3.34200033244815 1 1 1 1 1 +"4214" 544 688 689 1 165.070236206055 92398.5 4.45016720098801 4.59315951123814 1 1 1 1 1 +"4394" 3983 4699 4701 1 95.0492095947266 4834.93505859375 1.27657560821218 2.47251458966206 1 1 1 1 1 +"2613" 525 660 666 1 95.0853958129883 1491.42810058594 0.503724860817619 1.82455490807159 0 1 1 1 0 +"4213" 2476 2942 2943 1 179.081497192383 50187.88671875 2.97993891265075 2.96580985892604 1 1 1 1 1 +"2641" 410 527 532 1 245.011260986328 4916.31201171875 0.929373788623962 3.98422826652991 0 1 1 1 0 +"346" 2002 2389 2390 1 116.971900939941 53938.77734375 5.45406472341905 3.21477958048679 0 1 1 1 0 +"3307" 5060 5952 5957 1 67.0543746948242 2800.0107421875 1.64093238390986 13.3945844826352 1 1 1 1 1 +"2557" 2622 3110 3113 1 248.071701049805 10529.865234375 2.51396370022566 1.10345092023535 1 1 1 1 1 +"3998" 5055 5945 5951 1 346.974334716797 5866.2294921875 1.95885983435344 4.69927680650832 0 1 1 1 0 +"4404" 3538 4181 4182 1 370.118255615234 2570.56567382812 0.578089078882061 1.15419496358225 1 1 1 1 1 +"2218" 1511 1815 1817 1 89.0598373413086 3616.39819335938 1.25367469232521 0.946793577411766 1 1 1 1 1 +"3038" 1382 1661 1666 1 368.043701171875 6905.26171875 2.64752217703748 10.2496459075447 0 1 1 1 0 +"1037" 106 177 178 1 140.984390258789 2634.55151367188 0.639676453428991 0.839875372414443 0 1 1 1 0 +"216" 4588 5406 5407 1 69.0700759887695 6307.064453125 1.1663436923205 0.689723074354234 1 1 1 1 1 +"4402" 3497 4132 4134 1 178.078155517578 56074.42578125 14.077819382759 23.7654856690429 1 1 1 1 1 +"2335" 3067 3628 3632 1 278.080963134766 49810.07421875 7.27278321914041 2.63894782476533 1 1 1 1 1 +"1118" 4233 4986 4992 1 119.086006164551 5143.92919921875 2.3512829729534 1.38413056567597 1 1 1 1 1 +"4379" 2500 2970 2971 1 184.084884643555 2442.56787109375 1.14597720200464 3.28435394548527 1 1 1 1 1 +"4395" 1991 2375 2377 1 369.116729736328 57321.21484375 7.77556091292253 14.9147862175803 1 1 1 1 1 +"728" 4541 5350 5352 1 104.89054107666 1190.24841308594 0.711073939506556 2.86805199772479 1 1 1 1 1 +"4200" 1864 2228 2229 1 229.099655151367 9479.818359375 1.32679965870972 2.10647767838047 1 1 1 1 1 +"322" 547 688 692 1 95.9439849853516 10551.8828125 2.36093454536734 1.82976177999718 0 1 1 1 0 +"4374" 711 877 883 1 327.0791015625 5903.43310546875 2.66566472807019 9.64973195807566 1 1 1 1 1 +"4231" 4468 5266 5267 1 77.2433013916016 1892.73889160156 0.45351065349476 0.749125701938415 1 1 1 1 1 +"3861" 5321 6260 6262 1 561.609130859375 8007.14990234375 1.62354812837428 3.2842658263762 0 1 1 1 0 +"41" 3344 3950 3955 1 62.9224510192871 8850.3662109375 2.72980947336382 0.694934711597833 1 1 1 1 1 +"357" 3520 4160 4161 1 75.9264144897461 13126.0419921875 1.30194919449742 1.01177502740006 0 1 1 1 0 +"4224" 4577 5392 5394 1 181.037658691406 2252.80395507812 0.570610038313025 0.928025266513802 1 1 1 1 1 +"326" 2104 2508 2509 1 120.055953979492 11045.1455078125 2.87235996163661 2.05867001935861 0 1 1 1 0 +"2228" 2186 2599 2604 1 77.0388870239258 5406.2099609375 2.02088469847491 1.47998171952394 1 1 1 1 1 +"4394" 3941 4650 4652 1 696.189270019531 6163.9833984375 0.969221226432224 2.90137733348749 1 1 1 1 1 +"331" 4498 5301 5302 1 115.96427154541 127025.28125 15.1729229919312 11.5886568489073 0 1 1 1 0 +"4905" 5307 6239 6245 1 693.179626464844 18983.5 3.51539684583479 2.30696199166645 1 1 1 1 1 +"2261" 4880 5742 5747 1 170.065689086914 3315.14819335938 1.69161790705925 1.74935207669794 0 1 1 1 0 +"4201" 2836 3362 3363 1 227.084533691406 7245.78369140625 0.358787363838721 0.434049503931557 1 1 1 1 1 +"4381" 446 569 574 1 274.072326660156 2929.71118164062 1.27913821317775 4.66301683372774 1 1 1 1 1 +"2633" 877 1073 1077 1 404.083129882812 9889.712890625 2.61113185266165 7.16946212747641 0 1 1 1 0 +"4413" 2237 2662 2664 1 117.070350646973 5129.78076171875 1.01646923847079 2.86070019004184 1 1 1 1 1 +"82" 3391 4006 4010 1 120.023590087891 2796.17749023438 1.17518461367738 0.46015488968133 0 1 1 1 0 +"4214" 401 520 522 1 242.105361938477 3227.52905273438 0.401849553261676 0.660478950924195 1 1 1 1 1 +"2618" 669 828 834 1 385.560150146484 4415.3876953125 1.1057203856143 2.89914637300477 0 1 1 1 0 +"4404" 3659 4321 4323 1 251.047485351562 12045.859375 2.84078947027511 6.17952265374762 1 1 1 1 1 +"3994" 5218 6141 6142 1 58.023567199707 1673.70581054688 0.3132097934373 0.819215828498237 0 1 1 1 0 +"488" 5618 6716 6717 1 79.0545349121094 1846.42041015625 0.618916393963687 1.19652757794178 1 1 1 1 1 +"4377" 1021 1241 1245 1 252.050979614258 2806.40966796875 1.48729698111507 4.31275202936635 1 1 1 1 1 +"335" 449 576 578 1 60.9867095947266 3898.21606445312 0.617098789184018 0.54624687619902 0 1 1 1 0 +"4214" 418 541 542 1 192.09294128418 12360.5146484375 0.815083934764008 0.665942007994877 1 1 1 1 1 +"4413" 2267 2697 2699 1 79.0543975830078 6171.4189453125 0.449064026695134 0.521945274552931 1 1 1 1 1 +"4858" 5091 5987 5993 1 183.080749511719 26245.060546875 5.67530631410074 1.21252146927857 1 1 1 1 1 +"4411" 4282 5049 5050 1 77.1329116821289 5756.45947265625 1.55378985100632 3.14438390070868 1 1 1 1 1 +"2192" 3182 3761 3766 1 202.078765869141 2067.296875 0.761385195999199 0.593548953219871 1 1 1 1 1 +"4880" 5344 6288 6289 1 92.0571746826172 5334.45947265625 0.560460067801215 0.582694762298778 1 1 1 1 1 +"4214" 234 324 327 1 77.1326217651367 7954.62646484375 1.08229834172807 2.32197038577934 1 1 1 1 1 +"4210" 3284 3880 3885 1 235.043014526367 3259.6845703125 1.57705418866712 4.93382917233771 1 1 1 1 1 +"311" 1050 1276 1279 1 78.9498977661133 31071.177734375 7.07617833403298 5.72478964682846 0 1 1 1 0 +"1867" 5374 6323 6324 1 93.0700759887695 41506.92578125 3.38369688644116 11.1816532363296 1 1 1 1 1 +"4193" 4419 5203 5209 1 68.5868301391602 1602.94860839844 0.838132738484316 3.53670605721527 1 1 1 1 1 +"119" 2455 2914 2918 1 109.076324462891 27709.1484375 8.7231126761765 18.7958605949202 0 1 1 1 0 +"4399" 2972 3516 3521 1 695.188049316406 54118.61328125 26.2063122890989 65.8943632838328 1 1 1 1 1 +"4412" 5111 6015 6017 1 384.079650878906 34202.2734375 1.01607418083217 2.79743078275928 1 1 1 1 1 +"243" 2394 2844 2847 1 90.9478302001953 707356.4375 75.4802481158152 23.7716350029477 1 1 1 1 1 +"4411" 4282 5049 5050 1 97.3813934326172 3525.95239257812 0.951728934902294 1.9260012149051 1 1 1 1 1 +"4204" 5092 5994 5995 1 319.577026367188 434640.71875 0.443504856279075 0.558890707613821 1 1 1 1 1 +"321" 3832 4524 4525 1 118.065071105957 38651.484375 3.50196864031496 2.71320144685651 0 1 1 1 0 +"4403" 1112 1346 1351 1 97.3771820068359 1854.37658691406 0.892215582754204 2.22829178172598 1 1 1 1 1 +"767" 3109 3677 3681 1 122.019111633301 2513.87622070312 1.21242471826604 4.85325626646985 1 1 1 1 1 +"4204" 5129 6036 6038 1 184.120849609375 17851.47265625 0.943223247412212 2.57980791680986 1 1 1 1 1 +"323" 672 835 838 1 65.0389633178711 2049.0126953125 0.439564396982656 0.402327594109638 0 1 1 1 0 +"4996" 5090 5987 5992 1 712.655578613281 877332.3125 67.8658640602733 28.6953535223696 1 1 1 1 1 +"4559" 4032 4755 4758 1 68.1967163085938 3822.3642578125 3.11816393160531 3.87490678287998 1 1 1 1 1 +"4389" 3160 3740 3741 1 187.015838623047 9140.56640625 0.725806357809785 0.7076694464262 1 1 1 1 1 +"2234" 2647 3138 3142 1 329.061492919922 13751.40625 4.57900471137254 4.03294321041874 1 1 1 1 1 +"2896" 505 639 643 1 140.314575195312 1000.15228271484 0.876431257902405 23.3417129821244 0 1 1 1 0 +"4410" 5309 6246 6248 1 694.313293457031 5845.3076171875 0.578036711194729 1.10053026569606 1 1 1 1 1 +"24" 1609 1927 1931 1 62.9361114501953 7932.484375 2.21676084009902 0.673469096452299 1 1 1 1 1 +"4379" 2500 2970 2971 1 183.11735534668 2642.87475585938 1.23995498909606 3.55369291250986 1 1 1 1 1 +"4393" 5454 6414 6417 1 194.105453491211 1451.1279296875 0.59520928138019 1.46339264632183 1 1 1 1 1 +"4199" 1445 1738 1740 1 354.911376953125 2031.74475097656 0.773151143878213 2.17678786797381 1 1 1 1 1 +"4227" 5368 6316 6317 1 211.111907958984 26561.267578125 2.9731918246986 4.05917541093417 1 1 1 1 1 +"4200" 1906 2277 2278 1 253.100357055664 1101.46105957031 0.465464117273095 1.2815655776598 1 1 1 1 1 +"347" 1772 2116 2121 1 74.9376983642578 2142.46752929688 0.552834449663828 0.379668724810431 0 1 1 1 0 +"4532" 4200 4951 4954 1 168.613555908203 1080.951171875 0.88505912903081 1.09231465779942 1 1 1 1 1 +"4401" 1907 2277 2279 1 252.04948425293 2245.15209960938 0.965612963330956 2.43576105892488 1 1 1 1 1 +"345" 2275 2704 2708 1 75.9355850219727 33320.44921875 7.42875058377069 5.64729028631922 0 1 1 1 0 +"4370" 3355 3964 3968 1 230.103668212891 1199.13146972656 0.553960303689789 1.91207714248111 1 1 1 1 1 +"744" 5456 6414 6419 1 123.964653015137 21005.259765625 11.9780506119801 57.6992962684577 1 1 1 1 1 +"3049" 499 632 636 1 68.5680541992188 1935.17053222656 0.477505827586571 1.82419398119849 0 1 1 1 0 +"3055" 1129 1367 1371 1 115.054618835449 4524.25927734375 1.28460133710695 5.66537737522316 0 1 1 1 0 +"3532" 4954 5833 5834 1 211.028259277344 9615.5009765625 1.11565406437053 0.698802466616025 1 1 1 1 1 +"4373" 1372 1654 1655 1 463.650665283203 3301.16796875 0.449938613201409 1.11780590327077 1 1 1 1 1 +"1204" 3555 4195 4201 1 58.0031890869141 995.313781738281 0.68363819038682 1.70404705387497 1 1 1 1 1 +"2219" 1849 2207 2211 1 152.044296264648 1882.06335449219 0.686327328249712 0.487872117907667 1 1 1 1 1 +"4213" 2471 2935 2937 1 184.121200561523 1459.79382324219 0.651628473016114 1.87072896223954 1 1 1 1 1 +"3375" 125 198 200 1 149.096603393555 16094.859375 6.35983332056695 9.2322522185007 1 1 1 1 1 +"2557" 2622 3110 3113 1 309.095855712891 41996.58984375 10.0265198129784 4.40092771164352 1 1 1 1 1 +"2655" 1701 2032 2038 1 154.073486328125 1321.8857421875 0.518582905953354 2.02452460701718 0 1 1 1 0 +"336" 3279 3873 3879 1 111.95671081543 86063.2734375 14.3963045112524 8.29417502973408 0 1 1 1 0 +"744" 5330 6267 6272 1 86.5308990478516 954.277038574219 0.443341797963714 2.57529409747823 1 1 1 1 1 +"350" 4155 4895 4901 1 116.962089538574 153875.59375 26.4855443069486 13.4500612407005 0 1 1 1 0 +"332" 1666 1997 1998 1 97.0077667236328 238413.859375 23.0655042701773 14.0125226334782 0 1 1 1 0 +"118" 3186 3768 3771 1 106.041679382324 1690.16589355469 0.593775788495685 0.2685830426804 0 1 1 1 0 +"2726" 5109 6008 6014 1 77.0387344360352 24445.64453125 1.02014614560587 6.12216366103623 0 1 1 1 0 +"326" 2107 2508 2512 1 78.9342727661133 867.236511230469 0.174342852445177 0.166460197863354 0 1 1 1 0 +"4388" 488 618 623 1 79.4635009765625 1722.14477539062 0.731642604888121 3.37148522472346 1 1 1 1 1 +"336" 3484 4118 4119 1 59.9304542541504 16276.5439453125 1.55553905698044 1.41243481599792 0 1 1 1 0 +"4880" 5317 6253 6257 1 293.084716796875 5696.587890625 0.862097626363167 0.83776585355317 1 1 1 1 1 +"4198" 5434 6393 6394 1 105.069534301758 33591.91796875 1.51191845708746 1.21921576014978 1 1 1 1 1 +"3682" 5071 5966 5970 1 133.086181640625 36070.05859375 20.6474294262739 53.7395268583712 0 1 1 1 0 +"771" 2047 2438 2442 1 89.050048828125 6349.95703125 2.10103020614867 0.798121953702643 0 1 1 1 0 +"4233" 4955 5833 5835 1 340.08203125 39666.01171875 4.21589126906249 4.93346964470736 1 1 1 1 1 +"3217" 1509 1808 1814 1 284.057434082031 21537.3671875 9.54222673593575 14.9748042801436 1 1 1 1 1 +"334" 5439 6393 6399 1 118.08642578125 547050.3125 110.735656989199 100 0 1 1 1 0 +"4374" 664 828 829 1 117.070335388184 7791.576171875 1.53410034434499 2.88227486147002 1 1 1 1 1 +"3848" 5031 5917 5923 1 221.139266967773 5289.67333984375 2.77323203194378 3.96195898002748 1 1 1 1 1 +"4227" 5182 6099 6100 1 116.055816650391 21500.861328125 0.689069866807279 0.596655914427013 1 1 1 1 1 +"466" 1959 2333 2339 1 56.9425048828125 3227.52807617188 0.73808554474081 1.3931552863295 1 1 1 1 1 +"4202" 2685 3180 3186 1 156.970260620117 1436.29235839844 0.702676866357223 2.12945462799291 1 1 1 1 1 +"749" 4727 5567 5569 1 147.044326782227 2487.736328125 1.36374787863117 6.86534867656241 1 1 1 1 1 +"1833" 4981 5861 5865 1 281.051910400391 2778.82446289062 1.39572605176101 10.5039173426345 1 1 1 1 1 +"322" 495 625 631 1 105.342926025391 4617.095703125 0.442443075497188 0.170923416295675 0 1 1 1 0 +"4226" 1763 2109 2111 1 179.026504516602 11646.8515625 0.590901386543104 0.628683549853711 1 1 1 1 1 +"1327" 4842 5700 5703 1 57.070198059082 3086.07763671875 1.42126581472921 0.337987889032064 1 1 1 1 1 +"881" 4723 5560 5564 1 130.967010498047 1980.77758789062 0.705195035078026 0.489843355807616 1 1 1 1 1 +"2060" 2366 2809 2814 1 153.018508911133 62546.140625 18.1005626252681 8.39547272540421 1 1 1 1 1 +"4858" 5091 5987 5993 1 263.048767089844 6768.68212890625 1.46367901707495 0.312713029766594 1 1 1 1 1 +"3071" 625 779 783 1 168.057113647461 15785.548828125 4.3945882714526 17.5924394181692 0 1 1 1 0 +"334" 5421 6372 6378 1 187.733428955078 1115.82080078125 0.33023832583751 0.216992552900885 0 1 1 1 0 +"328" 235 324 328 1 120.044662475586 9619.87890625 1.13878873390862 1.0225344564967 0 1 1 1 0 +"93" 2753 3264 3266 1 225.61735534668 1387.16296386719 0.621636742108617 0.233427681593279 0 1 1 1 0 +"3500" 5215 6134 6138 1 193.947952270508 1293.09924316406 0.707929730362262 2.4720734761261 1 1 1 1 1 +"341" 3713 4384 4386 1 67.8448791503906 6904.53564453125 0.767730472291562 0.528477011820732 0 1 1 1 0 +"4192" 3766 4447 4448 1 105.069488525391 20654.208984375 1.93285127299589 1.75284651551128 1 1 1 1 1 +"4397" 2615 3103 3105 1 291.078125 4199.2099609375 1.13985114838255 2.31299324415216 1 1 1 1 1 +"93" 2798 3313 3318 1 68.0135650634766 1242.20532226562 0.385453695330877 0.207059002751996 0 1 1 1 0 +"234" 4084 4818 4819 1 102.943756103516 9988.4375 1.78215732624129 0.700479559926231 1 1 1 1 1 +"835" 5541 6590 6592 1 153.065994262695 1271.55297851562 0.581778210587881 1.72698843102202 1 1 1 1 1 +"4210" 3256 3852 3853 1 254.108245849609 33275.125 2.23507079322163 1.72797122464859 1 1 1 1 1 +"4373" 1529 1836 1838 1 136.08430480957 1187.96545410156 0.510739753467293 0.772861056238581 1 1 1 1 1 +"4398" 3102 3670 3673 1 354.916381835938 1700.10656738281 0.880002368194316 3.14160458981892 1 1 1 1 1 +"3069" 2307 2739 2745 1 153.070724487305 8338.3798828125 3.25595249898186 19.8624019674209 0 1 1 1 0 +"2250" 3051 3607 3613 1 89.0598220825195 4342.40478515625 1.6422742202921 1.4824045214436 1 1 1 1 1 +"316" 4684 5518 5519 1 233.135818481445 4354.83837890625 0.57344004462678 0.384253948689495 0 1 1 1 0 +"49" 5405 6358 6360 1 97.0077972412109 39147.125 8.37333002466255 4.06419169236118 1 1 1 1 1 +"357" 3571 4216 4220 1 120.055740356445 5722.61865234375 1.6620422023934 1.11325449894555 0 1 1 1 0 +"4880" 5317 6253 6257 1 218.108001708984 4456.94140625 0.674494746845077 0.655457862343951 1 1 1 1 1 +"1429" 4908 5777 5780 1 160.120559692383 1713.33874511719 0.597584172316728 0.387255007844432 1 1 1 1 1 +"3777" 5000 5882 5887 1 97.3800048828125 2759.46362304688 1.33954814693929 2.23681175997045 1 1 1 1 1 +"22" 4500 5301 5304 1 131.962097167969 2997.830078125 0.744234117104494 0.256497568300734 1 1 1 1 1 +"310" 2651 3145 3147 1 117.070304870605 14881.6181640625 3.12312691493249 2.82556155756622 0 1 1 1 0 +"344" 4343 5119 5121 1 97.0077972412109 161237.484375 16.9661649175116 12.7020384021289 0 1 1 1 0 +"1413" 4890 5756 5759 1 82.0732803344727 11306.1591796875 0.785110010273729 0.823321470589574 1 1 1 1 1 +"336" 3296 3894 3899 1 120.056045532227 7564.63623046875 2.17907162219987 7.79299409284018 0 1 1 1 0 +"488" 5592 6673 6675 1 60.0447311401367 4063.00244140625 1.10653062898953 3.0901065390452 1 1 1 1 1 +"4401" 1870 2235 2236 1 354.921875 4120.56494140625 0.610905615855238 1.36273756662123 1 1 1 1 1 +"3350" 5042 5931 5936 1 69.0699615478516 1896.55163574219 0.903056309399741 4.45693153808439 1 1 1 1 1 +"3155" 123 191 197 1 385.059875488281 64008.03515625 12.8934850741325 56.4181538154735 0 1 1 1 0 +"325" 1073 1304 1306 1 56.9424057006836 11452.89453125 0.639950383203103 0.521482234869966 0 1 1 1 0 +"4214" 502 639 640 1 141.069961547852 17347.408203125 1.05250202101764 0.972329148575525 1 1 1 1 1 +"3016" 5457 6414 6420 1 393.563720703125 6440.220703125 2.7962838958396 3.46025909078126 1 1 1 1 1 +"4669" 2162 2571 2576 1 97.3789825439453 2553.0537109375 2.07595257351379 11.6059157728995 1 1 1 1 1 +"337" 3911 4615 4617 1 59.9305000305176 18056.34765625 4.01047903769499 3.44461887030466 0 1 1 1 0 +"4388" 538 681 682 1 192.095062255859 3414.73413085938 0.685676407526995 1.3298999921743 1 1 1 1 1 +"3038" 1465 1759 1763 1 644.625915527344 1958.1279296875 0.765369516486475 3.07269404090843 0 1 1 1 0 +"4381" 412 534 535 1 154.072769165039 16955.849609375 1.30599434811944 2.77493435330177 1 1 1 1 1 +"1912" 2804 3320 3325 1 70.4246139526367 1215.3857421875 0.638988179080653 0.280073229082855 1 1 1 1 1 +"339" 1932 2305 2308 1 119.085075378418 119644.953125 12.4934622832426 7.6281150213978 0 1 1 1 0 +"4383" 2116 2522 2523 1 694.184814453125 236545.640625 36.987494948959 98.4389103037317 1 1 1 1 1 +"351" 3633 4286 4292 1 59.9305152893066 17729.169921875 4.34413652346229 3.33131753917224 0 1 1 1 0 +"354" 821 1010 1012 1 72.9372253417969 29252.900390625 1.74012023310489 1.15265025214926 0 1 1 1 0 +"341" 3724 4398 4399 1 59.0732231140137 160892.9375 18.9717959918696 14.9855272477997 0 1 1 1 0 +"4223" 3622 4279 4280 1 240.092697143555 7831.47802734375 0.622289734822992 0.570277321643793 1 1 1 1 1 +"3071" 625 779 783 1 368.113128662109 6675.0458984375 1.85828688860136 7.43910407299466 0 1 1 1 0 +"3532" 4916 5784 5789 1 155.086791992188 2427.50170898438 0.628581079274238 0.101799457055311 1 1 1 1 1 +"4208" 4216 4972 4973 1 141.070205688477 2285.51635742188 0.505162912034128 0.892359627256818 1 1 1 1 1 +"335" 434 555 560 1 150.95719909668 15956.1630859375 0.905566198661884 0.426733702235736 0 1 1 1 0 +"356" 4446 5238 5241 1 118.960136413574 2778.626953125 0.792763771043884 0.53779396184022 0 1 1 1 0 +"49" 5147 6057 6059 1 116.011367797852 1297.77661132812 0.259721960281157 0.108111833479795 1 1 1 1 1 +"818" 4940 5812 5817 1 169.065643310547 1697.13549804688 0.666612198202876 0.129619240317521 1 1 1 1 1 +"4400" 4172 4916 4921 1 77.2443084716797 2251.5283203125 1.07139361528051 3.912004422994 1 1 1 1 1 +"4384" 196 282 283 1 340.082366943359 15074.826171875 3.40598720004095 4.30856002583737 1 1 1 1 1 +"320" 2569 3047 3051 1 61.9282073974609 2616.18896484375 0.579901848785481 0.489716284774206 0 1 1 1 0 +"4880" 5344 6288 6289 1 252.050552368164 6475.73583984375 0.680367217422005 0.70735889460765 1 1 1 1 1 +"4395" 1948 2326 2327 1 67.8459320068359 5163.01123046875 0.763146202711713 1.43304996716108 1 1 1 1 1 +"4197" 3334 3943 3944 1 254.108993530273 24666.21875 2.03027151864715 1.69468865198696 1 1 1 1 1 +"4208" 4240 5000 5001 1 340.083129882812 13149.5625 1.31703057315272 1.19252979921642 1 1 1 1 1 +"4988" 5096 5994 5999 1 217.032623291016 20803.75390625 0.487936631722875 0.234440589965274 1 1 1 1 1 +"320" 2603 3089 3091 1 117.967269897461 6008.70654296875 0.710922169880265 0.411898479647038 0 1 1 1 0 +"354" 821 1010 1012 1 92.9542999267578 10317.1328125 0.613718684811686 0.406525355742047 0 1 1 1 0 +"4399" 3007 3558 3562 1 152.061996459961 14029.1884765625 3.09220818216747 5.61713876021165 1 1 1 1 1 +"322" 547 688 692 1 91.0486068725586 3461.22631835938 0.774433239029992 0.600198063396977 0 1 1 1 0 +"315" 2782 3299 3300 1 116.953689575195 5366.2392578125 0.503282170093638 0.344757693500562 0 1 1 1 0 +"4374" 668 828 833 1 180.084838867188 1445.26635742188 0.66901027393003 3.00756481570071 1 1 1 1 1 +"3994" 5087 5987 5989 1 371.098358154297 1828.82971191406 0.393138147510859 1.2234307034953 1 1 1 1 1 +"351" 3591 4237 4243 1 79.0543365478516 7071.3798828125 1.8691745619735 1.27343946175041 0 1 1 1 0 +"4379" 2459 2921 2923 1 74.8663940429688 1298.59655761719 0.561931302952255 2.33818340584049 1 1 1 1 1 +"4373" 1661 1990 1992 1 292.082153320312 6569.5673828125 1.18312579457961 1.93706801478549 1 1 1 1 1 +"4399" 2998 3551 3552 1 215.395584106445 6638.77294921875 0.517966173316097 0.710312415261165 1 1 1 1 1 +"743" 211 296 300 1 69.0431289672852 1593.16101074219 0.512876682850366 4.63499678441865 0 1 1 1 0 +"2225" 629 786 788 1 133.086380004883 2105.0634765625 0.769615712965902 0.653558421762218 1 1 1 1 1 +"330" 4873 5735 5739 1 136.970962524414 1056.30969238281 0.301465544628457 0.209026633783214 0 1 1 1 0 +"4211" 1614 1934 1937 1 233.036727905273 8457.3544921875 3.1091547600269 12.2476777819664 1 1 1 1 1 +"3998" 5260 6190 6191 1 345.979095458984 2767.08154296875 0.961295729430487 2.30677954406079 0 1 1 1 0 +"2566" 4909 5777 5781 1 51.940013885498 1209.58532714844 0.394041437940715 0.335627229538645 0 1 1 1 0 +"4407" 5202 6120 6123 1 85.0936508178711 1473.96704101562 0.486325988624518 0.822268646349545 1 1 1 1 1 +"324" 4950 5826 5829 1 117.96720123291 4314.279296875 0.606412695153197 0.430763315736733 0 1 1 1 0 +"4213" 2476 2942 2943 1 379.733795166016 6145.52734375 0.364894743885641 0.363164635453439 1 1 1 1 1 +"200" 3202 3789 3790 1 116.107666015625 19916.50390625 2.57586280336714 0.870786273144568 1 1 1 1 1 +"4229" 2208 2627 2630 1 368.063598632812 1261.53515625 0.468482041892542 1.72503971640707 1 1 1 1 1 +"4414" 2793 3306 3312 1 354.885101318359 2628.09521484375 1.18423300330033 3.43078079091816 1 1 1 1 1 +"3481" 2254 2683 2684 1 451.114990234375 135964.078125 9.92074192643669 22.7869025119665 1 1 1 1 1 +"3437" 4913 5784 5786 1 149.034301757812 13329.3544921875 3.27770218441894 6.11424343610861 0 1 1 1 0 +"2611" 1046 1269 1274 1 242.986755371094 2660.93408203125 0.823235743909848 2.40614834919714 0 1 1 1 0 +"341" 3754 4433 4434 1 59.9305801391602 19359.091796875 2.11984031243721 1.64960181438084 0 1 1 1 0 +"56" 846 1038 1041 1 105.033866882324 5415.3525390625 1.73014822487162 0.444299024056939 1 1 1 1 1 +"1391" 3888 4587 4590 1 216.042098999023 2898.42529296875 1.77324530200786 6.27893972970997 1 1 1 1 1 +"1154" 5485 6501 6506 1 105.070167541504 2568.28125 1.05723047038941 1.33285209996172 1 1 1 1 1 +"884" 1512 1815 1818 1 95.0857696533203 4756.07177734375 1.60003696018874 0.745719872400687 1 1 1 1 1 +"3532" 4954 5833 5834 1 135.072982788086 25116.775390625 2.91421451848783 1.82535102842702 1 1 1 1 1 +"4195" 901 1101 1105 1 328.081451416016 8094.88037109375 3.231281949429 10.0776256645952 1 1 1 1 1 +"336" 3337 3943 3947 1 97.3791198730469 1566.42492675781 0.367281667219071 0.286354785357011 0 1 1 1 0 +"355" 5131 6036 6040 1 134.972793579102 63840.09375 10.1286490813027 7.04507714370215 0 1 1 1 0 +"2909" 1839 2193 2199 1 410.700958251953 1039.16442871094 0.925224781375678 45.0280990728359 0 1 1 1 0 +"342" 4601 5420 5422 1 120.05541229248 4396.18798828125 1 0.818935869134437 0 1 1 1 0 +"334" 5353 6295 6299 1 88.0218276977539 7367.52197265625 0.965568499681027 0.577457341433616 0 1 1 1 0 +"354" 821 1010 1012 1 233.655776977539 6060.9306640625 0.360536833583895 0.238818481754026 0 1 1 1 0 +"329" 779 961 963 1 133.974533081055 44211.578125 3.08017513990009 1.46044443939772 0 1 1 1 0 +"3031" 2006 2389 2394 1 375.054748535156 14182.6923828125 6.19751371048082 22.740352492228 0 1 1 1 0 +"4411" 4246 5007 5008 1 79.1060562133789 1441.74060058594 0.425281952213686 0.713425096313248 1 1 1 1 1 +"4405" 4610 5427 5432 1 274.072509765625 2564.36547851562 1.50498737538367 5.23945120359854 1 1 1 1 1 +"54" 1693 2025 2029 1 64.9203414916992 4447.6337890625 1.28103897893837 0.366311950979711 1 1 1 1 1 +"37" 3028 3586 3587 1 124.985221862793 7189.5810546875 1.67392376938552 0.54548335313418 1 1 1 1 1 +"4198" 5411 6365 6367 1 115.054496765137 163869.40625 17.3861078486698 22.4299372034423 1 1 1 1 1 +"4403" 1126 1367 1368 1 153.070343017578 12874.3857421875 2.12318199705713 4.81961151083429 1 1 1 1 1 +"4196" 2027 2417 2419 1 107.048835754395 7692.4638671875 1.10887887712873 1.93156596427622 1 1 1 1 1 +"4213" 2446 2907 2908 1 212.114807128906 10116.5234375 1.49719979245946 2.53642029350914 1 1 1 1 1 +"349" 100 170 171 1 77.6950378417969 12717.2744140625 0.267922613226692 0.137814340271972 0 1 1 1 0 +"2335" 3066 3628 3631 1 323.106536865234 49098.80078125 1.01133596788968 0.681071105230622 1 1 1 1 1 +"4411" 4282 5049 5050 1 216.031341552734 1666.17517089844 0.449735828565837 0.910124427700707 1 1 1 1 1 +"4996" 5090 5987 5992 1 291.078491210938 83639.7265625 6.46993417665675 2.73564701542355 1 1 1 1 1 +"4557" 1162 1409 1410 1 187.76139831543 3582.42041015625 0.871659368381734 1.1158393638893 1 1 1 1 1 +"4198" 5382 6330 6333 1 460.4599609375 1139.90502929688 0.505766038154426 0.954822841131714 1 1 1 1 1 +"4391" 2141 2550 2552 1 166.074005126953 8653.5166015625 0.662178932516448 0.743771514410357 1 1 1 1 1 +"4379" 2393 2844 2846 1 187.030731201172 6933.3447265625 0.533644607135896 0.562989234599462 1 1 1 1 1 +"2242" 2729 3236 3238 1 51.0233726501465 6150.30224609375 2.33600392282193 1.98593197664586 1 1 1 1 1 +"4220" 4672 5504 5505 1 273.039459228516 4319.72412109375 0.623956169854298 0.487891278128778 1 1 1 1 1 +"47" 509 646 648 1 104.908157348633 2091.76098632812 0.653575032090032 0.169108827139581 1 1 1 1 1 +"1912" 2796 3313 3316 1 108.236457824707 1286.88293457031 0.470865686851915 0.117128421068133 1 1 1 1 1 +"3682" 5071 5966 5970 1 328.205688476562 5412.15673828125 3.0980577424667 8.06338425103019 0 1 1 1 0 +"344" 4349 5126 5128 1 119.085151672363 118809.1796875 25.9146402670648 21.435159255506 0 1 1 1 0 +"4385" 899 1101 1103 1 695.186401367188 52699.24609375 3.41561105094292 3.96437473835317 1 1 1 1 1 +"4390" 4042 4769 4770 1 67.8519821166992 8699.2333984375 0.725926289920684 0.992528669456546 1 1 1 1 1 +"4232" 964 1178 1179 1 252.093719482422 10958.904296875 0.511523959616388 0.624408793727141 1 1 1 1 1 +"3532" 4954 5833 5834 1 97.377311706543 8618.7119140625 1 0.626361243088648 1 1 1 1 1 +"318" 4301 5070 5072 1 116.962135314941 189119.296875 19.5804747870429 13.9426389631377 0 1 1 1 0 +"348" 2824 3348 3349 1 135.970092773438 19157.90234375 1.65484466375918 1.14772632559008 0 1 1 1 0 +"2618" 819 1003 1009 1 228.092758178711 3219.69921875 1.20936952045634 5.4818196244225 0 1 1 1 0 +"4204" 5092 5994 5995 1 138.994354248047 481678.25 0.491501679026723 0.619374776387508 1 1 1 1 1 +"2192" 3182 3761 3766 1 326.231353759766 17385.162109375 6.40295316081505 4.99151568232177 1 1 1 1 1 +"341" 3720 4391 4394 1 74.0969161987305 2333.03833007812 0.438107650939315 0.43271810366273 0 1 1 1 0 +"2234" 2647 3138 3142 1 216.031127929688 3019.3759765625 1.0054053069725 0.885507389062787 1 1 1 1 1 +"107" 2961 3502 3508 1 92.0576782226562 1705.44091796875 0.757205402959443 1.16547778962436 0 1 1 1 0 +"328" 232 324 325 1 117.070243835449 22421.630859375 0.824388891741408 0.432392540274233 0 1 1 1 0 +"2248" 1385 1668 1670 1 179.059600830078 1230.10546875 0.376867419053357 0.329124988879606 1 1 1 1 1 +"4880" 5311 6246 6250 1 295.089111328125 2497.71875 0.390370873957633 0.245693198982811 1 1 1 1 1 +"3249" 5426 6379 6384 1 230.199096679688 2245.26586914062 1.15079445670638 7.05928723912764 1 1 1 1 1 +"4892" 5117 6022 6024 1 210.103713989258 1731.36706542969 0.449180231198928 0.180600472573239 0 1 1 1 0 +"345" 2296 2732 2733 1 148.962326049805 8663.2080078125 0.673560587291607 0.549430419313541 0 1 1 1 0 +"2724" 180 261 264 1 394.564971923828 19568.537109375 4.48929059188736 15.1360006937208 0 1 1 1 0 +"41" 3304 3908 3909 1 138.981491088867 6702.5751953125 1.77456565274481 0.496858407158573 1 1 1 1 1 +"1606" 3839 4531 4533 1 248.064163208008 24468.970703125 12.7343271221479 15.4235364884982 1 1 1 1 1 +"317" 1810 2165 2166 1 93.0701370239258 3359.4443359375 0.669678274897647 0.598389440230756 0 1 1 1 0 +"882" 5193 6106 6112 1 154.142852783203 34865.06640625 13.8822185176786 9.86652802131777 1 1 1 1 1 +"2639" 1304 1570 1575 1 226.999084472656 1286.67260742188 0.44781818459907 1.23686464783391 0 1 1 1 0 +"882" 5365 6309 6313 1 154.969299316406 16096.388671875 7.03035855668817 4.60319532266908 1 1 1 1 1 +"4214" 502 639 640 1 81.3404922485352 6604.392578125 0.400701733347016 0.370178838080837 1 1 1 1 1 +"2724" 229 317 321 1 290.962493896484 5303.75634765625 1.19259209242016 4.07919089073925 0 1 1 1 0 +"318" 4223 4979 4981 1 90.0372695922852 4821.16650390625 0.448030458133452 0.409783814111639 0 1 1 1 0 +"3310" 2823 3341 3347 1 421.33056640625 1727.84423828125 1.47322701715894 14.9645198840298 1 1 1 1 1 +"3038" 1382 1661 1666 1 215.025817871094 5893.1376953125 2.25946725499345 8.74732589748841 0 1 1 1 0 +"3218" 4993 5875 5879 1 66.3794784545898 17198.822265625 7.26286490170142 100 1 1 1 1 1 +"4411" 4274 5035 5040 1 53.0389747619629 1635.87341308594 0.932434923176657 2.80045497640885 1 1 1 1 1 +"4373" 1655 1983 1985 1 715.276123046875 1539.34106445312 0.632956489204895 1.56965777814281 1 1 1 1 1 +"3321" 4208 4958 4963 1 116.061012268066 1032.69458007812 0.866764734585232 9.06017185962498 1 1 1 1 1 +"343" 3016 3572 3573 1 145.370391845703 3702.23828125 0.346623569721031 0.239541644452367 0 1 1 1 0 +"3532" 4961 5840 5842 1 229.019805908203 3393.625 1.5747153534398 1.36656773996102 1 1 1 1 1 +"4570" 4558 5371 5372 1 60.1015281677246 1405.52502441406 0.667381786555464 0.65759969537795 1 1 1 1 1 +"2359" 5262 6190 6193 1 92.572151184082 1177.29565429688 0.504874392654188 1.94256280973348 1 1 1 1 1 +"357" 3520 4160 4161 1 135.970657348633 11959.759765625 1.18626769611935 0.921876242035915 0 1 1 1 0 +"4216" 1236 1493 1496 1 370.117492675781 7396.39599609375 3.47080100493583 8.75010490084744 1 1 1 1 1 +"4192" 3766 4447 4448 1 339.078979492188 71339.90625 6.67609341587633 6.05435464421868 1 1 1 1 1 +"4375" 3778 4461 4462 1 734.414184570312 7514.41455078125 0.581049706706126 0.832721876045399 1 1 1 1 1 +"238" 1936 2312 2313 1 88.0216979980469 10751.9912109375 1.08859166893167 0.29529874540329 1 1 1 1 1 +"2616" 374 485 490 1 369.543273925781 2285.609375 0.737480597707205 2.39124114486438 0 1 1 1 0 +"4395" 1948 2326 2327 1 134.067947387695 3636.62915039062 0.53753122023315 1.00938600593963 1 1 1 1 1 +"312" 2668 3166 3167 1 60.986686706543 25342.388671875 2.56241289727581 1.73109098296071 0 1 1 1 0 +"3155" 123 191 197 1 242.986465454102 3209.51708984375 0.646510404389954 2.82894215399947 0 1 1 1 0 +"3998" 5055 5945 5951 1 172.130355834961 1151.24987792969 0.384427023897395 0.922234947857985 0 1 1 1 0 +"1867" 5334 6274 6277 1 163.148422241211 14352.3798828125 2.83054783754975 4.68212411514933 1 1 1 1 1 +"2224" 1723 2060 2064 1 327.078582763672 387106.5625 138.112819551538 100 1 1 1 1 1 +"326" 2143 2550 2554 1 95.9497451782227 5098.52783203125 0.524497954405813 0.369559698825621 0 1 1 1 0 +"22" 4851 5707 5713 1 80.9928741455078 2297.45629882812 0.665767292269205 0.40175460350296 1 1 1 1 1 +"4880" 5311 6246 6250 1 118.027458190918 3848.27270507812 0.601450255001149 0.378543193251394 1 1 1 1 1 +"4378" 4438 5231 5232 1 171.080581665039 5810.04345703125 0.685243460454514 0.797177239426568 1 1 1 1 1 +"2277" 5004 5889 5892 1 331.264831542969 2076.97094726562 0.834384543696435 0.980317565038175 0 1 1 1 0 +"747" 1267 1528 1532 1 146.0712890625 2085.08422851562 0.915048110309706 5.58563517656941 1 1 1 1 1 +"2641" 435 555 561 1 242.986587524414 5489.04248046875 1.61138139734695 5.83553706779721 0 1 1 1 0 +"738" 1098 1332 1335 1 145.967346191406 1480.21813964844 0.527521967126963 3.63092797845911 1 1 1 1 1 +"340" 274 373 374 1 110.958915710449 17545.337890625 0.508010518955814 0.358238795414366 0 1 1 1 0 +"4858" 5091 5987 5993 1 179.081756591797 86079.0390625 18.6139754957166 3.97685052894943 1 1 1 1 1 +"3375" 84 149 152 1 66.6351318359375 9484.13671875 1.27067761842445 0.83734267770541 0 1 1 1 0 +"4214" 166 247 248 1 175.015579223633 21345.646484375 1.05955081092353 1.19726555434044 1 1 1 1 1 +"2967" 4914 5784 5787 1 387.108612060547 20213.525390625 8.1961185877523 39.8591390141741 1 1 1 1 1 +"344" 4343 5119 5121 1 78.9971771240234 86591.6171875 9.11157640155387 6.82155300972067 0 1 1 1 0 +"326" 2107 2508 2512 1 91.0543975830078 68159.3984375 13.7022643657852 13.0827367197162 0 1 1 1 0 +"4375" 3776 4454 4459 1 339.077117919922 1663.1142578125 0.945672314435965 2.89584054872234 1 1 1 1 1 +"336" 3484 4118 4119 1 106.992279052734 21579.451171875 2.06233456186017 1.87260687819795 0 1 1 1 0 +"35" 4008 4727 4730 1 122.019416809082 40631.13671875 10.6925232451764 3.43388295069456 1 1 1 1 1 +"4103" 5342 6281 6286 1 307.110809326172 2027.1796875 0.738717071817358 2.34174860742673 1 1 1 1 1 +"4195" 611 765 767 1 328.082489013672 43714.8359375 6.75696514035415 9.84835380481814 1 1 1 1 1 +"4880" 5311 6246 6250 1 184.084121704102 12869.8037109375 2.01143404248451 1.26596449020575 1 1 1 1 1 +"4202" 2716 3222 3223 1 237.046005249023 9800.6357421875 0.606457942369324 0.533110914061364 1 1 1 1 1 +"2758" 325 429 433 1 243.982833862305 2533.43334960938 0.628863140460508 2.83438651706312 0 1 1 1 0 +"4411" 4258 5021 5022 1 211.112243652344 43723.80859375 4.02076135256816 5.23359784195735 1 1 1 1 1 +"2726" 5126 6029 6034 1 168.057235717773 86816.8515625 5.51126148284658 32.9431256787213 0 1 1 1 0 +"2618" 709 877 881 1 373.553466796875 4085.73803710938 1.00540733210587 2.52247849687091 0 1 1 1 0 +"4208" 4276 5042 5043 1 77.1323471069336 9364.740234375 0.739082713731224 0.730806594795522 1 1 1 1 1 +"4214" 376 492 493 1 55.0178642272949 12178.56640625 0.535023543288771 0.697376643607247 1 1 1 1 1 +"2763" 131 205 207 1 152.974456787109 2680.64599609375 0.460771291858238 1.69460005786249 0 1 1 1 0 +"313" 1555 1864 1868 1 58.0633735656738 1952.03479003906 0.4885705954425 0.374938202872802 0 1 1 1 0 +"3532" 4916 5784 5789 1 239.08576965332 2457.41772460938 0.636327579027276 0.103054011948768 1 1 1 1 1 +"4214" 250 345 346 1 693.0576171875 12010.0302734375 0.784158898284214 0.846392500561148 1 1 1 1 1 +"312" 2686 3187 3188 1 53.2346534729004 2872.04931640625 0.455289536306432 0.201872370382082 0 1 1 1 0 +"2044" 4938 5812 5815 1 87.6141967773438 2982.56103515625 0.596732426937637 0.667237272835316 1 1 1 1 1 +"4214" 560 702 707 1 168.057876586914 2708.70703125 0.949762755429497 3.65818801603669 1 1 1 1 1 +"4218" 3988 4706 4707 1 208.087814331055 8507.5634765625 0.799269131757483 0.837751718295224 1 1 1 1 1 +"340" 277 373 377 1 90.0374069213867 3754.78173828125 0.616479650112326 0.480261394839944 0 1 1 1 0 +"331" 4513 5315 5319 1 120.965194702148 2312.130859375 0.544444409312567 0.426863333808727 0 1 1 1 0 +"1128" 3802 4489 4490 1 140.951538085938 1387.11572265625 0.673792513271574 5.33970543787339 0 1 1 1 0 +"2357" 2808 3327 3330 1 306.0810546875 1416.50500488281 0.316838962053403 0.206767563828221 1 1 1 1 1 +"3994" 5040 5931 5934 1 612.178527832031 3016.78930664062 0.832329012196202 1.25476221473381 1 1 1 1 1 +"4227" 5214 6134 6137 1 179.081512451172 24854.69921875 9.05200001885003 22.0433643088625 1 1 1 1 1 +"1161" 1515 1815 1821 1 67.054443359375 1413.32275390625 0.83229706013514 0.498074368606719 1 1 1 1 1 +"4405" 4610 5427 5432 1 53.0389633178711 1807.87548828125 1.06101482371531 3.69380865652368 1 1 1 1 1 +"85" 4071 4797 4803 1 100.948883056641 3090.59326171875 1.03977753368498 0.570700107776293 0 1 1 1 0 +"223" 5271 6197 6203 1 67.9351577758789 2801.24072265625 0.600477749490499 0.380343552370477 1 1 1 1 1 +"42" 1903 2270 2274 1 97.0140838623047 2997.72998046875 0.76069021348816 0.232231016340915 1 1 1 1 1 +"1867" 5334 6274 6277 1 240.26887512207 4629.90478515625 0.913100620572285 1.51039681379848 1 1 1 1 1 +"325" 1080 1311 1314 1 77.9407424926758 3124.5595703125 0.676199214177458 0.547599550653143 0 1 1 1 0 +"4140" 5155 6064 6068 1 227.18815612793 1141.75085449219 0.612685731287148 0.452894948603106 1 1 1 1 1 +"3046" 1784 2130 2135 1 178.078384399414 4948.62353515625 1.79966666825003 6.65152379169227 0 1 1 1 0 +"95" 2372 2816 2821 1 106.992065429688 2184.45190429688 0.722117474898843 0.359433939434685 0 1 1 1 0 +"2241" 5050 5945 5946 1 93.0340881347656 3074.32202148438 0.706985593743522 0.506897096815098 1 1 1 1 1 +"239" 1439 1731 1733 1 92.9482498168945 229178.953125 21.278756731974 6.87643530077603 1 1 1 1 1 +"3059" 3417 4034 4040 1 170.053268432617 984.849365234375 0.515039010064182 2.8832974238367 0 1 1 1 0 +"4858" 5122 6029 6030 1 166.077514648438 8936.9072265625 0.486737853962789 0.490980824399121 1 1 1 1 1 +"330" 4828 5686 5687 1 152.983367919922 3657.4833984375 0.423560094348313 0.268110504064696 0 1 1 1 0 +"351" 3647 4307 4309 1 97.3806686401367 3538.57373046875 0.38607135134421 0.281603089210951 0 1 1 1 0 +"4225" 1552 1864 1865 1 181.064971923828 13178.556640625 0.753300493996747 0.774645488683713 1 1 1 1 1 +"3480" 2614 3103 3104 1 432.099914550781 8880.62109375 0.821471496008024 9.8297630468474 1 1 1 1 1 +"3034" 2505 2970 2976 1 403.069305419922 4890.76220703125 1.93333034797619 8.6906297232716 0 1 1 1 0 +"4233" 5043 5931 5937 1 153.069366455078 6847.90478515625 2.8035807527493 5.24530822263332 1 1 1 1 1 +"4410" 5267 6197 6199 1 169.062973022461 8833.6357421875 0.857708214847794 1.8850805147454 1 1 1 1 1 +"4381" 403 520 524 1 368.076019287109 1509.10681152344 0.537449705125704 0.901909997828868 1 1 1 1 1 +"335" 420 541 544 1 75.935546875 81085.5234375 14.6434881385897 9.97099452757823 0 1 1 1 0 +"311" 1008 1227 1230 1 74.9042358398438 1659.00451660156 0.359072418434767 0.310023750034747 0 1 1 1 0 +"767" 3109 3677 3681 1 143.118041992188 1526.91845703125 0.736421970515135 2.94784862872154 1 1 1 1 1 +"324" 4950 5826 5829 1 57.9351081848145 27851.716796875 3.91482180109905 2.78088112771757 0 1 1 1 0 +"2724" 231 317 323 1 215.026397705078 20729.73046875 5.7564886446621 16.7133693954363 0 1 1 1 0 +"3861" 5321 6260 6262 1 385.004058837891 5023.583984375 1.01859344149105 2.06050659810731 0 1 1 1 0 +"4215" 4144 4888 4889 1 240.090255737305 3321.9716796875 0.785721380072417 1.09768643501441 1 1 1 1 1 +"3861" 5321 6260 6262 1 195.08122253418 8234.833984375 1.66971387645578 3.37765424284711 0 1 1 1 0 +"311" 1050 1276 1279 1 119.957321166992 12725.056640625 2.89801599635259 2.34456103126601 0 1 1 1 0 +"98" 4635 5455 5461 1 65.9404602050781 4027.33911132812 1.85638573345214 4.24091838777127 0 1 1 1 0 +"325" 1428 1717 1720 1 115.054389953613 3705.58178710938 0.656122992333794 0.751630255388025 0 1 1 1 0 +"3481" 2216 2634 2639 1 313.067810058594 7264.93603515625 2.51070191151215 5.73221620850923 1 1 1 1 1 +"4221" 1132 1374 1375 1 155.085479736328 55729.203125 2.46927235596165 3.11371533555365 1 1 1 1 1 +"2605" 1917 2284 2290 1 671.069641113281 4951.34716796875 1.73450522894616 5.78032529470179 0 1 1 1 0 +"1413" 4897 5763 5767 1 57.070240020752 164972.734375 19.9045563941348 30.5752744613374 1 1 1 1 1 +"350" 4139 4881 4883 1 74.937744140625 725456.125 72.2515648594011 58.9066292743257 0 1 1 1 0 +"2605" 1917 2284 2290 1 375.054138183594 19904.134765625 6.97261263600481 23.2365798139125 0 1 1 1 0 +"46" 344 450 455 1 104.908164978027 1635.78955078125 0.527940438696346 0.163229114278947 1 1 1 1 1 +"2724" 183 261 267 1 241.101257324219 3287.78125 0.641837132127183 2.19923558016965 0 1 1 1 0 +"4215" 4144 4888 4889 1 246.041778564453 2517.39453125 0.595420700716682 0.831828231838671 1 1 1 1 1 +"4415" 4463 5259 5261 1 274.071868896484 10906.966796875 3.69776284820271 5.87976498152839 1 1 1 1 1 +"238" 1894 2263 2264 1 227.207443237305 6278.60888671875 0.669225076310948 0.176802582416741 1 1 1 1 1 +"4226" 1738 2081 2082 1 134.067749023438 5959.64404296875 0.783574201909613 1.20188060535873 1 1 1 1 1 +"315" 2782 3299 3300 1 76.9331207275391 367469.5 34.4637722095555 23.6083281354562 0 1 1 1 0 +"2224" 1723 2060 2064 1 215.025588989258 21055.705078125 7.51230559669335 5.43925293907282 1 1 1 1 1 +"748" 2939 3481 3483 1 161.213104248047 1674.62927246094 0.859116096746981 3.40549416175595 1 1 1 1 1 +"223" 5315 6253 6255 1 147.954055786133 7809.376953125 1.87894386501532 1.03717864279128 1 1 1 1 1 +"37" 2987 3537 3539 1 131.962219238281 2569.57421875 0.663799006374188 0.194378410341435 1 1 1 1 1 +"4988" 5096 5994 5999 1 117.070465087891 263712.6875 6.18518566702905 2.97181740936928 1 1 1 1 1 +"4421" 5114 6015 6020 1 734.250244140625 18640.037109375 0.465510096434453 0.403915220214075 0 1 1 1 0 +"231" 5052 5945 5948 1 102.943801879883 6043.80224609375 1.1582464269245 0.913732025761351 1 1 1 1 1 +"315" 2705 3208 3210 1 76.942626953125 4689.9326171875 0.545962947434668 0.292646974831531 0 1 1 1 0 +"4227" 5172 6085 6088 1 155.08610534668 3999.009765625 1.45825733023864 2.61589869836013 1 1 1 1 1 +"4227" 5368 6316 6317 1 57.069896697998 6811.0673828125 0.762411274254364 1.04088847270594 1 1 1 1 1 +"316" 4703 5539 5541 1 119.085090637207 115563.734375 25.2277164231669 20.5639322934479 0 1 1 1 0 +"199" 2062 2459 2460 1 73.9377365112305 81191.625 8.84304943133251 2.70890023070567 1 1 1 1 1 +"3061" 1004 1220 1225 1 168.057250976562 15430.5576171875 5.22170734666427 18.296596533977 0 1 1 1 0 +"3994" 5080 5980 5981 1 346.973541259766 6829.76513671875 0.553669206280721 0.920260587108212 1 1 1 1 1 +"1318" 3788 4468 4473 1 203.973373413086 1368.0771484375 0.655839017574068 0.610940114540625 1 1 1 1 1 +"4410" 5309 6246 6248 1 180.033248901367 13065.4296875 1.29202746912784 2.45990489245389 1 1 1 1 1 +"3375" 81 145 148 1 371.330017089844 2790.34594726562 0.406743114669014 0.0702952651620716 1 1 1 1 1 +"22" 4380 5161 5164 1 53.0389709472656 5021.60595703125 1.11890309678636 0.472366381423807 1 1 1 1 1 +"3067" 3037 3593 3597 1 339.96533203125 3704.22290039062 1.5923488527687 10.1320197932527 0 1 1 1 0 +"3520" 5221 6141 6145 1 79.3459243774414 1019.62854003906 0.6040309724354 0.708170504702129 1 1 1 1 1 +"334" 5395 6344 6348 1 65.9552459716797 3029.61865234375 0.369710319471106 0.214145746633075 0 1 1 1 0 +"4373" 1480 1780 1781 1 95.0491256713867 21839.173828125 0.989526380023237 1.45632902865631 1 1 1 1 1 +"331" 4553 5364 5366 1 99.2198104858398 1351.046875 0.286370041878973 0.238363845993364 0 1 1 1 0 +"211" 1690 2025 2026 1 161.209136962891 9077.34765625 0.87425300975803 0.263575954740251 1 1 1 1 1 +"4227" 5201 6120 6122 1 256.061065673828 6889.77880859375 0.650757146916968 1.09175482679275 1 1 1 1 1 +"4408" 2711 3215 3217 1 197.036849975586 3099.97265625 1.88853350828282 3.4623467343971 1 1 1 1 1 +"4384" 282 380 383 1 256.06201171875 1749.10717773438 0.463658357878254 0.787017450017513 1 1 1 1 1 +"313" 1562 1871 1876 1 77.9334411621094 14216.8974609375 3.12863256643193 2.56879374364705 0 1 1 1 0 +"1136" 2052 2445 2448 1 163.03923034668 202756.671875 21.5816219227287 26.8119961552003 1 1 1 1 1 +"4216" 1258 1521 1522 1 115.054512023926 363002.1875 17.7969800969685 22.7781549711533 1 1 1 1 1 +"348" 2896 3432 3433 1 75.9447555541992 15390.1953125 1.82815713194043 0.864906279475687 0 1 1 1 0 +"2888" 717 884 890 1 384.558624267578 1773.33410644531 1.36554960583765 57.3736282823614 0 1 1 1 0 +"106" 4346 5119 5124 1 116.966323852539 3231.359375 1.26189799043407 3.51317681256078 0 1 1 1 0 +"345" 2227 2648 2652 1 117.959686279297 69507.84375 6.65555618673719 5.2830783379753 0 1 1 1 0 +"3038" 1573 1885 1889 1 258.984832763672 2451.57568359375 1.05926854996941 4.61652027903758 0 1 1 1 0 +"4227" 5182 6099 6100 1 117.466789245605 12168.1962890625 0.389972162892896 0.337671415715842 1 1 1 1 1 +"2286" 4230 4986 4989 1 97.3806762695312 4712.81640625 3.28382779501883 35.6412659687535 1 1 1 1 1 +"318" 4236 4993 4996 1 72.9375152587891 1713.61633300781 0.450891035224563 0.340035899133976 0 1 1 1 0 +"1545" 368 478 483 1 143.752990722656 1354.07702636719 0.483666709019374 0.188896842260012 1 1 1 1 1 +"315" 2782 3299 3300 1 93.9461288452148 533653.125 50.0495952423737 34.2849082318713 0 1 1 1 0 +"2724" 228 317 320 1 133.064834594727 1559.32763671875 0.449295372986561 1.33868693023593 0 1 1 1 0 +"3155" 203 289 291 1 232.002517700195 3057.95556640625 1.04279906784546 3.02414491744525 0 1 1 1 0 +"225" 4300 5070 5071 1 74.9377288818359 781292.5625 160.431381295592 75.360120367067 1 1 1 1 1 +"4411" 4274 5035 5040 1 128.353591918945 1101.68762207031 0.627953242000541 1.88598124952396 1 1 1 1 1 +"4403" 1109 1346 1348 1 368.113464355469 323784.40625 21.8307425469487 25.3515043197701 1 1 1 1 1 +"4192" 3815 4503 4505 1 255.058502197266 4072.21557617188 0.812611921251091 1.3154781624408 1 1 1 1 1 +"837" 5482 6501 6503 1 71.3535919189453 5591.568359375 0.300793178744747 0.131112741378209 1 1 1 1 1 +"4386" 4114 4853 4854 1 340.082153320312 10980.0703125 1.0026122903647 1.18938140647513 1 1 1 1 1 +"4223" 3652 4314 4315 1 696.189575195312 6904.54736328125 1.25816111209577 1.90568825744452 1 1 1 1 1 +"3061" 920 1122 1127 1 259.998077392578 3192.724609375 1.20356091093254 4.27038806448643 0 1 1 1 0 +"2763" 105 170 176 1 65.2448883056641 2873.89819335938 0.419207991424024 2.29982934569465 0 1 1 1 0 +"3064" 835 1024 1028 1 152.06217956543 23342.04296875 8.36801184224685 27.5453618995078 0 1 1 1 0 +"4214" 485 618 620 1 241.09928894043 5253.37353515625 0.732890566231041 1.29275017646628 1 1 1 1 1 +"724" 3359 3971 3973 1 88.0759811401367 2188.7822265625 0.741539450526855 4.90899800338347 1 1 1 1 1 +"2247" 2228 2648 2653 1 329.147766113281 11079.6220703125 1.90097563472555 0.743760277504042 1 1 1 1 1 +"3297" 1799 2151 2153 1 76.8974990844727 1049.52954101562 0.712533653250892 6.41495570759306 1 1 1 1 1 +"4379" 2459 2921 2923 1 193.101669311523 1334.16979980469 0.577324627549802 2.402234680339 1 1 1 1 1 +"2573" 4949 5826 5828 1 177.164428710938 2791.58447265625 0.675052408921179 1.03726294699028 1 1 1 1 1 +"340" 246 338 341 1 142.755905151367 8248.830078125 0.223792091822879 0.180792114989682 0 1 1 1 0 +"2618" 669 828 834 1 289.542510986328 4027.19677734375 1.00850794559141 2.64425996901871 0 1 1 1 0 +"2247" 2228 2648 2653 1 300.063323974609 302056 51.8249713463796 20.2766171044519 1 1 1 1 1 +"3180" 2612 3096 3101 1 228.265289306641 1928.56616210938 0.5489259700389 1.27067759983553 1 1 1 1 1 +"318" 4269 5028 5034 1 117.057884216309 1544.45788574219 0.356425915621576 0.290514433029671 0 1 1 1 0 +"4534" 3276 3873 3876 1 120.408058166504 1027.11267089844 0.838131593951823 0.860222345039591 1 1 1 1 1 +"4409" 2920 3460 3461 1 239.086135864258 20706.78125 1.81521373620767 1.98138348690505 1 1 1 1 1 +"1212" 4893 5756 5762 1 69.0700759887695 36868.578125 8.57153878314941 5.31210112904513 1 1 1 1 1 +"99" 3985 4699 4703 1 65.943603515625 1352.24475097656 0.457731486516461 0.222463583123518 0 1 1 1 0 +"348" 2896 3432 3433 1 166.727798461914 4097.6904296875 0.486752885938544 0.230284158973967 0 1 1 1 0 +"334" 5338 6281 6282 1 74.9376754760742 22339.677734375 2.57399604434764 1.75303543145432 0 1 1 1 0 +"4191" 4869 5728 5734 1 95.0492095947266 1067.09020996094 0.471815438489302 1.41257476676688 1 1 1 1 1 +"325" 1241 1500 1502 1 58.9329299926758 38437.17578125 3.12020360768658 1.92546844067989 0 1 1 1 0 +"333" 1583 1899 1901 1 97.0077819824219 235531.015625 26.01788170193 14.0839403305254 0 1 1 1 0 +"340" 307 408 412 1 95.0632553100586 3181.79272460938 0.424083836247165 0.251724705407479 0 1 1 1 0 +"2611" 1022 1241 1246 1 115.054122924805 5901.11572265625 2.42026149190066 9.50772120279136 0 1 1 1 0 +"227" 2717 3222 3224 1 56.9425239562988 6317.166015625 0.650885366288777 0.220667056347565 1 1 1 1 1 +"1545" 361 471 475 1 241.101867675781 64062.51171875 18.9078954356104 4.73035935541228 1 1 1 1 1 +"4415" 4499 5301 5303 1 71.3046264648438 1154.78662109375 0.455013462801975 0.617197124609337 1 1 1 1 1 +"216" 4588 5406 5407 1 116.964416503906 3560.71435546875 0.658470633925155 0.389389845371616 1 1 1 1 1 +"4195" 653 814 816 1 68.8357315063477 3131.71215820312 0.40004904443349 0.6533017873544 1 1 1 1 1 +"4571" 5226 6148 6151 1 351.244964599609 3783.94897460938 0.821037850881324 0.856924532948318 1 1 1 1 1 +"4193" 4419 5203 5209 1 180.035522460938 1148.3251953125 0.600424078211353 2.53363623302459 1 1 1 1 1 +"1745" 5346 6288 6291 1 97.9000473022461 1089.50537109375 0.366093811142257 0.981068622687916 1 1 1 1 1 +"322" 492 625 628 1 118.967796325684 28848.80859375 5.17202059131307 5.04125775291946 0 1 1 1 0 +"343" 3042 3600 3603 1 137.9677734375 3725.40087890625 0.812361389941657 0.68493461201423 0 1 1 1 0 +"4209" 1361 1640 1642 1 275.073547363281 2781.43481445312 1.16995027528255 3.18542995481285 1 1 1 1 1 +"353" 3130 3705 3706 1 59.0688171386719 5132.3388671875 0.662235228734488 0.365154284641098 0 1 1 1 0 +"4215" 4096 4832 4833 1 165.070327758789 57971.0234375 5.46541012584037 5.55120379193097 1 1 1 1 1 +"4194" 2590 3075 3076 1 77.0389099121094 7596.876953125 0.339784989257674 0.442055089214731 1 1 1 1 1 +"4227" 5308 6246 6247 1 694.185546875 501849.90625 18.8366767613899 15.3871420298476 1 1 1 1 1 +"340" 267 359 365 1 88.9525909423828 10262.4912109375 2.52370441739909 8.12624590996339 0 1 1 1 0 +"3481" 2242 2669 2670 1 367.080749511719 218550.953125 1.6722952993382 5.83023935289027 1 1 1 1 1 +"4222" 2950 3495 3496 1 62.6788940429688 5785.6201171875 0.36735708636019 0.360029279482678 1 1 1 1 1 +"2625" 1545 1850 1856 1 290.041839599609 3008.45288085938 1.15596713943507 4.52795391394744 0 1 1 1 0 +"4210" 3256 3852 3853 1 165.070327758789 70073.484375 4.70679519027607 3.63890337334158 1 1 1 1 1 +"4546" 2522 2991 2996 1 716.167297363281 115463.9453125 78.2410709758397 100 1 1 1 1 1 +"4880" 5317 6253 6257 1 182.070343017578 5037.18359375 0.762306156440417 0.740790889905677 1 1 1 1 1 +"3674" 4509 5308 5314 1 133.0859375 7829.4384765625 3.84391417034155 30.9919821699206 1 1 1 1 1 +"4374" 832 1024 1025 1 291.0791015625 8811.9423828125 1.83517055210931 3.81938445708789 1 1 1 1 1 +"4208" 4204 4958 4959 1 182.072006225586 6740.25146484375 0.769987466260143 0.661630207528425 1 1 1 1 1 +"356" 4482 5280 5283 1 95.9439010620117 8345.6943359375 2.36394109172093 1.54797553278816 0 1 1 1 0 +"3034" 2377 2823 2827 1 228.007766723633 1373.58483886719 0.602140840421646 2.72092129016333 0 1 1 1 0 +"4371" 1025 1248 1250 1 254.109313964844 22891.41015625 1.31391577416132 1.76240828814024 1 1 1 1 1 +"345" 2273 2704 2706 1 78.9500274658203 20083.33984375 5.0733416002477 3.6078794433463 0 1 1 1 0 +"197" 2760 3271 3274 1 113.963912963867 308248.5 34.8209482700419 11.2144294847249 1 1 1 1 1 +"96" 5265 6190 6196 1 166.012344360352 3836.84521484375 1.33013855110899 0.750337873906813 0 1 1 1 0 +"3037" 200 282 287 1 247.010177612305 2862.24780273438 0.475788058910907 2.23509758152602 0 1 1 1 0 +"3049" 572 716 721 1 69.2168426513672 1150.31372070312 0.546762392069002 2.57955604580617 0 1 1 1 0 +"325" 1260 1521 1524 1 119.957221984863 14136.1630859375 3.05501839894683 2.84532336094912 0 1 1 1 0 +"882" 5193 6106 6112 1 50.2693328857422 1101.13159179688 0.438437408835774 0.311611215049186 1 1 1 1 1 +"3998" 5219 6141 6143 1 242.0927734375 1836.45190429688 0.642591086546101 2.08229312432494 0 1 1 1 0 +"337" 4010 4727 4732 1 119.95726776123 10223.9326171875 2.26030457839129 1.89508477537773 0 1 1 1 0 +"4195" 670 835 836 1 251.04736328125 98560.328125 4.7738355052758 6.01373866392909 1 1 1 1 1 +"202" 4228 4986 4987 1 97.0078582763672 2657.556640625 0.531724641096252 0.270781814561205 1 1 1 1 1 +"4211" 1614 1934 1937 1 340.084320068359 3192.57250976562 1.17367694881871 4.62338423100195 1 1 1 1 1 +"2606" 3099 3663 3669 1 375.053558349609 15810.68359375 6.08042265895541 27.6204142405325 0 1 1 1 0 +"315" 2707 3208 3212 1 59.9304885864258 25814.4296875 5.87950190782604 4.71137593604506 0 1 1 1 0 +"37" 2987 3537 3539 1 62.9398536682129 2068.26928710938 0.534296728103586 0.156456619642574 1 1 1 1 1 +"4217" 4060 4790 4791 1 274.071563720703 18859.927734375 1.96612864408291 1.9067259151874 1 1 1 1 1 +"49" 5405 6358 6360 1 58.0654716491699 1551.98901367188 0.331960934707852 0.161125008694791 1 1 1 1 1 +"4216" 1198 1451 1452 1 177.069839477539 3293.69091796875 0.408041161019393 0.696707294167061 1 1 1 1 1 +"3155" 203 289 291 1 97.1015472412109 1260.83117675781 0.42995836508465 1.24689064708342 0 1 1 1 0 +"4218" 3997 4713 4717 1 273.069641113281 3453.96044921875 1.76829391225452 7.05719941168048 1 1 1 1 1 +"4204" 5140 6050 6051 1 187.016067504883 47388.890625 0.422881044249052 0.57036665390463 1 1 1 1 1 +"2222" 4966 5847 5848 1 175.015594482422 6259.7236328125 1.61188796725104 1.10079655340726 1 1 1 1 1 +"322" 492 625 628 1 120.080978393555 5577.8603515625 1 0.974717262608498 0 1 1 1 0 +"98" 4587 5399 5405 1 65.9405899047852 3360.70190429688 1.71248151194214 0.641415037131618 0 1 1 1 0 +"4373" 1684 2018 2019 1 152.062118530273 83162.25 4.78664046285506 5.0340901163103 1 1 1 1 1 +"1095" 4218 4972 4975 1 98.9633636474609 2252.73388671875 0.85744958038422 0.128882069800989 1 1 1 1 1 +"4395" 1991 2375 2377 1 328.082641601562 30788.48046875 4.17642413814253 8.01105847821406 1 1 1 1 1 +"3155" 203 289 291 1 414.588287353516 3052.59033203125 1.04096945937551 3.01883900442143 0 1 1 1 0 +"318" 4269 5028 5034 1 118.065231323242 32464.810546875 7.49214331544583 6.10667090149162 0 1 1 1 0 +"4373" 1404 1689 1692 1 155.086151123047 1767.73034667969 0.796231236430732 1.29039742058509 1 1 1 1 1 +"2229" 2563 3040 3044 1 157.005630493164 1742.09045410156 0.619728114751276 0.481047606011972 1 1 1 1 1 +"321" 3806 4489 4494 1 62.0060348510742 1877.88220214844 0.437141403702679 0.432583014082146 0 1 1 1 0 +"2061" 2604 3089 3092 1 220.06884765625 6099.58984375 1.24163419939882 0.450133261780701 1 1 1 1 1 +"4379" 2435 2893 2895 1 251.048110961914 69971.9140625 5.14014102681597 5.25333650380574 1 1 1 1 1 +"1037" 106 177 178 1 149.9599609375 2413.56372070312 0.586020001116798 0.76942611228212 0 1 1 1 0 +"4214" 318 422 425 1 215.025939941406 14353.0087890625 2.55206104916455 4.21940535437964 1 1 1 1 1 +"4401" 1870 2235 2236 1 116.057289123535 24854.11328125 3.68481448454884 8.21965782241987 1 1 1 1 1 +"3046" 1743 2081 2087 1 251.048538208008 2119.90771484375 0.956280955001015 3.31271934627592 0 1 1 1 0 +"2281" 5037 5924 5930 1 58.3524856567383 849.734497070312 0.440506130296955 1.24946686493983 0 1 1 1 0 +"765" 3557 4202 4204 1 105.953163146973 1214.62390136719 0.602895859942398 1.88801256751398 1 1 1 1 1 +"325" 1093 1325 1329 1 59.0763549804688 3457.94946289062 0.751337513678032 0.653183826643201 0 1 1 1 0 +"86" 4305 5070 5076 1 68.5813217163086 1799.17712402344 0.750323086438922 1.6190918609118 0 1 1 1 0 +"2611" 1022 1241 1246 1 403.068267822266 13099.154296875 5.37243806276707 21.1050101201835 0 1 1 1 0 +"1545" 373 485 489 1 84.0809326171875 18451.89453125 9.15369431375536 5.07384134479425 1 1 1 1 1 +"354" 808 996 997 1 79.0541229248047 6545.47802734375 0.410118009659961 0.250419212172268 0 1 1 1 0 +"4230" 2794 3313 3314 1 292.080841064453 9164.4599609375 0.580913108880364 0.606375553581879 1 1 1 1 1 +"4574" 659 821 823 1 79.4640426635742 5188.81982421875 3.06202388881923 3.00324085508373 1 1 1 1 1 +"4380" 4715 5553 5555 1 70.9094696044922 1224.21752929688 0.333425138820336 0.736182972282284 1 1 1 1 1 +"334" 5355 6295 6301 1 118.96760559082 8898.7666015625 2.41487435505304 1.76305869712707 0 1 1 1 0 +"4150" 5442 6400 6403 1 683.202514648438 1438.43640136719 1.14997210380994 32.2226111916213 1 1 1 1 1 +"2240" 4647 5469 5475 1 157.005996704102 1172.46789550781 0.589172528448087 0.405439397861162 0 1 1 1 0 +"347" 1729 2067 2071 1 61.9280014038086 3205.7763671875 0.729323100298853 0.55709179312962 0 1 1 1 0 +"881" 4765 5609 5613 1 136.076644897461 1322.8623046875 0.498381771648926 0.318828287643237 1 1 1 1 1 +"4858" 5091 5987 5993 1 1006.41546630859 3311.1669921875 0.716016139655705 0.152975873659089 1 1 1 1 1 +"85" 4124 4860 4865 1 118.943588256836 1514.13354492188 0.631347568492922 1.18417002557822 0 1 1 1 0 +"354" 869 1066 1068 1 59.0732460021973 164801.03125 31.4695367063386 28.057776226589 0 1 1 1 0 +"4410" 5320 6260 6261 1 263.047485351562 22227.04296875 0.740959030278786 0.978533906550347 1 1 1 1 1 +"4880" 5311 6246 6250 1 81.5810623168945 9584.974609375 1.49804493204987 0.942845576166798 1 1 1 1 1 +"4218" 3997 4713 4717 1 211.112701416016 1676.68579101562 0.858398154989644 3.42583713736645 1 1 1 1 1 +"3039" 1255 1514 1518 1 233.03694152832 16000.86328125 5.74427908173622 23.2574569456499 0 1 1 1 0 +"4211" 1660 1990 1991 1 177.068634033203 3966.36376953125 0.536253762075114 0.914614222686322 1 1 1 1 1 +"4400" 4174 4923 4924 1 91.0543670654297 24328.18359375 6.51365633577514 12.1937024886292 1 1 1 1 1 +"325" 1416 1703 1706 1 60.0765724182129 5178.267578125 1.16044155266061 0.986736897334431 0 1 1 1 0 +"4376" 1869 2228 2234 1 712.655700683594 3563.33349609375 1.38757549094964 3.33762406142133 1 1 1 1 1 +"22" 4775 5623 5625 1 146.980773925781 1753.71789550781 0.41551658962144 0.150179288923507 1 1 1 1 1 +"4389" 3133 3705 3709 1 251.047866821289 20252.15625 3.84352160756857 7.4869330537277 1 1 1 1 1 +"4401" 1869 2228 2234 1 179.081436157227 10875.1474609375 4.23482340168339 10.1862915376628 1 1 1 1 1 +"4404" 3706 4377 4378 1 215.026031494141 33600.76953125 2.98508342693027 3.57481140575441 1 1 1 1 1 +"4227" 5341 6281 6285 1 133.065231323242 4110.66162109375 1.28864554404584 2.88469980989967 1 1 1 1 1 +"4374" 601 751 755 1 715.1630859375 45850.57421875 20.7977936640932 96.4157901878842 1 1 1 1 1 +"4402" 3490 4125 4126 1 187.015701293945 6183.703125 0.618700628548464 0.682952192638984 1 1 1 1 1 +"325" 1241 1500 1502 1 104.939178466797 7592.69287109375 0.616349854195049 0.380347676589644 0 1 1 1 0 +"4384" 179 261 263 1 91.0544052124023 72932.9296875 6.04003398864277 6.75263560251924 1 1 1 1 1 +"227" 2639 3131 3133 1 116.107223510742 15206.439453125 1.36524254602218 0.578415942803863 1 1 1 1 1 +"2616" 369 478 484 1 246.009307861328 7278.92333984375 2.00445418276819 5.78598289782482 0 1 1 1 0 +"4378" 4426 5217 5218 1 215.025939941406 6591.837890625 1.86351584447939 3.54329520750415 1 1 1 1 1 +"4200" 1888 2256 2257 1 245.035171508789 9068.4150390625 0.522570094925294 0.536856308727534 1 1 1 1 1 +"2241" 5012 5896 5901 1 154.073654174805 19941.65625 9.87106613247402 12.1541526254831 1 1 1 1 1 +"764" 1734 2074 2077 1 119.069198608398 1282.82458496094 0.58579612738716 2.37065450273933 1 1 1 1 1 +"4407" 5158 6071 6072 1 165.070388793945 160178.515625 2.932421653367 3.03363086205403 1 1 1 1 1 +"2758" 271 366 370 1 367.110198974609 74445.015625 12.9651639764224 64.5035125413091 0 1 1 1 0 +"1806" 2049 2438 2444 1 122.33903503418 1132.21911621094 0.380869688836386 1.15332578908336 0 1 1 1 0 +"4736" 5103 6001 6007 1 251.047912597656 49340.0859375 2.289753245901 8.03446737143185 1 1 1 1 1 +"4192" 3808 4496 4497 1 180.033203125 19708.9375 1.24747134879344 1.38257578248687 1 1 1 1 1 +"881" 4723 5560 5564 1 147.957275390625 5084.22998046875 1.81008395962293 1.25732252351596 1 1 1 1 1 +"4228" 2068 2466 2467 1 166.073455810547 13289.1845703125 1.81465874214287 3.3183568900044 1 1 1 1 1 +"731" 2113 2515 2519 1 161.214492797852 1276.99475097656 0.631484559079592 2.66741681749442 1 1 1 1 1 +"2222" 4936 5812 5813 1 230.105331420898 26210.322265625 0.657027153581891 0.757902004002286 1 1 1 1 1 +"882" 5240 6162 6167 1 160.641662597656 1217.17761230469 0.523404637506064 0.349326239669792 1 1 1 1 1 +"2044" 4941 5812 5818 1 79.0541915893555 1222.67846679688 0.646540865888134 1.42706103306035 1 1 1 1 1 +"2222" 5012 5896 5901 1 105.070266723633 2016.23950195312 0.998033122884954 1.22886897302055 1 1 1 1 1 +"3046" 1784 2130 2135 1 63.6436500549316 1037.54760742188 0.377325095056106 1.3945842812151 0 1 1 1 0 +"355" 5254 6183 6184 1 76.9425201416016 3480.53637695312 0.275945452899837 0.313958597403442 0 1 1 1 0 +"323" 701 870 872 1 106.93677520752 2168.33032226562 0.455143480810932 0.360239972033426 0 1 1 1 0 +"1634" 4214 4965 4970 1 109.102149963379 1120.00036621094 0.689870804157762 0.169632047756092 1 1 1 1 1 +"354" 855 1045 1051 1 92.9482727050781 255086.40625 22.057812223178 12.0823097932434 0 1 1 1 0 +"4570" 4738 5581 5582 1 161.227401733398 1669.97802734375 0.740117925277924 0.932513781981203 1 1 1 1 1 +"4373" 1702 2039 2040 1 171.080001831055 3694.37890625 0.485323699156303 1.00180680097462 1 1 1 1 1 +"4195" 754 933 934 1 253.101425170898 39371.859375 2.07116743482867 1.87525496571403 1 1 1 1 1 +"336" 3282 3880 3883 1 137.986938476562 1777.08129882812 0.425016387151819 0.343624817119279 0 1 1 1 0 +"4538" 1601 1920 1922 1 353.699829101562 1275.40197753906 1.0316654692555 0.764610287459997 1 1 1 1 1 +"334" 5379 6323 6329 1 53.0389747619629 2830.46826171875 0.830302731897417 0.549715063803677 0 1 1 1 0 +"334" 5375 6323 6325 1 92.9481506347656 5835.68505859375 0.706682041056029 0.45865249283194 0 1 1 1 0 +"325" 1302 1570 1573 1 58.0654144287109 96200.1796875 25.7844555899331 18.4292955207808 0 1 1 1 0 +"315" 2782 3299 3300 1 117.070098876953 12332.28515625 1.15660501469723 0.792296053492239 0 1 1 1 0 +"4214" 443 569 571 1 65.038459777832 5403.48779296875 0.705593664926785 1.38480297494812 1 1 1 1 1 +"2403" 2332 2774 2775 1 322.978057861328 1733.94384765625 0.607724963457056 2.18025049153789 1 1 1 1 1 +"86" 4305 5070 5076 1 65.940185546875 2178.72216796875 0.908607340397641 1.96064705483681 0 1 1 1 0 +"4410" 5286 6218 6221 1 369.116546630859 72802.328125 26.7590744682636 48.220767301669 1 1 1 1 1 +"2658" 4899 5763 5769 1 247.077835083008 10850.9990234375 3.52745784963819 8.82952764532622 0 1 1 1 0 +"96" 5265 6190 6196 1 107.049476623535 14030.1396484375 4.86389952652532 2.74375028570262 0 1 1 1 0 +"3314" 3723 4391 4397 1 278.506195068359 1146.09545898438 0.947115766541678 14.7798974803562 1 1 1 1 1 +"313" 1520 1822 1827 1 58.0654525756836 141641.9375 31.8597953547711 23.1745690234785 0 1 1 1 0 +"205" 2142 2550 2553 1 74.9281463623047 71642.1484375 7.03813058332735 2.57737624877267 1 1 1 1 1 +"4225" 1594 1913 1914 1 328.081939697266 56654.265625 3.42692075931022 2.99485293452014 1 1 1 1 1 +"323" 661 821 825 1 56.0496788024902 3680.30346679688 0.674837933045901 0.698066917957346 0 1 1 1 0 +"3302" 2433 2886 2892 1 318.656951904297 983.642272949219 0.844411920568248 8.60760624212091 1 1 1 1 1 +"4537" 1681 2011 2015 1 115.908683776855 1060.43603515625 0.822185971253798 0.655466819385071 1 1 1 1 1 +"4408" 2711 3215 3217 1 235.042327880859 2014.20532226562 1.22707348272606 2.24965765613812 1 1 1 1 1 +"4220" 4708 5546 5547 1 85.9583358764648 2819.08715820312 0.295024273432227 0.322374676154046 1 1 1 1 1 +"3141" 5450 6407 6412 1 67.3495254516602 3650.623046875 2.033589075241 11.8628616109807 0 1 1 1 0 +"4229" 2308 2746 2747 1 192.092269897461 15566.939453125 0.934507512942691 0.778150781390492 1 1 1 1 1 +"3994" 5257 6183 6187 1 74.0464706420898 12709.3486328125 2.79663753406988 6.5972511166848 0 1 1 1 0 +"4205" 3088 3656 3657 1 183.11784362793 6105.8623046875 0.966216886565228 1.90672119692313 1 1 1 1 1 +"2613" 561 702 708 1 273.066986083984 2785.3779296875 1.12823571841723 4.19425557418083 0 1 1 1 0 +"4197" 3334 3943 3944 1 215.026229858398 55894.13671875 4.60063518407936 3.84019780939765 1 1 1 1 1 +"4195" 611 765 767 1 255.112091064453 6396.00927734375 0.988625733061942 1.44093328846616 1 1 1 1 1 +"98" 4551 5357 5363 1 119.060417175293 1832.66027832031 0.743191952401746 1.78704034929104 0 1 1 1 0 +"3375" 81 145 148 1 346.282073974609 3020.49145507812 0.440290962299331 0.0760931625566197 1 1 1 1 1 +"43" 2495 2963 2965 1 64.9365386962891 1648.01330566406 0.399641656742125 0.123046086988817 1 1 1 1 1 +"1867" 5383 6330 6334 1 267.258544921875 1116.88977050781 0.422945364578369 2.15519522982428 1 1 1 1 1 +"3045" 2745 3250 3256 1 131.551864624023 1010.02001953125 0.475019912857638 2.1673675237948 0 1 1 1 0 +"3061" 1010 1227 1232 1 367.110412597656 16762.76171875 8.02972342501432 51.5517882738451 0 1 1 1 0 +"4397" 2629 3117 3121 1 197.03662109375 2976.3447265625 1.62315762473736 5.74709823844585 1 1 1 1 1 +"4373" 1529 1836 1838 1 153.070281982422 5740.85791015625 2.46815624444353 3.73486071740572 1 1 1 1 1 +"4550" 1934 2305 2310 1 718.16748046875 5704.59326171875 3.67498702250342 3.79147763053553 1 1 1 1 1 +"2738" 5196 6113 6116 1 385.059112548828 25460.2109375 11.417197447348 54.3687695807813 0 1 1 1 0 +"337" 4090 4825 4826 1 58.0654411315918 135876.53125 19.4061924884142 11.6505534647198 0 1 1 1 0 +"3055" 1129 1367 1371 1 217.017730712891 1910.85546875 0.542561188406416 2.3928154149321 0 1 1 1 0 +"325" 1326 1598 1601 1 211.391876220703 4289.63525390625 0.304045350144501 0.255320576073996 0 1 1 1 0 +"336" 3421 4041 4045 1 78.9969635009766 3704.89086914062 0.747080523065505 0.656198551364159 0 1 1 1 0 +"4395" 1991 2375 2377 1 216.029510498047 9606.9169921875 1.30316791892434 2.49968730668204 1 1 1 1 1 +"4208" 4204 4958 4959 1 239.084548950195 18444.837890625 2.10708666687863 1.81056478160423 1 1 1 1 1 +"314" 2442 2900 2903 1 114.971115112305 27136.72265625 7.4362691679909 5.26533893740549 0 1 1 1 0 +"2613" 494 625 630 1 393.564300537109 61973.01171875 17.2993781146403 38.599365168775 0 1 1 1 0 +"4194" 2632 3124 3125 1 168.057693481445 62626.94140625 3.31419037047932 4.02416844863798 1 1 1 1 1 +"4561" 122 191 196 1 79.4591522216797 2756.75732421875 2.02715244551087 2.94102666031784 1 1 1 1 1 +"2724" 152 226 231 1 241.101272583008 1990.89868164062 0.586913659132059 3.08850609208312 0 1 1 1 0 +"2641" 452 576 581 1 369.040161132812 4205.91015625 0.874823790174824 2.93790232977453 0 1 1 1 0 +"4378" 4438 5231 5232 1 233.036849975586 99562.25 11.742490607032 13.6606137618552 1 1 1 1 1 +"4284" 5101 6001 6005 1 274.07177734375 1044586.375 4.64468783439467 4.56572338768331 0 1 1 1 0 +"351" 3592 4244 4245 1 110.959121704102 10856.373046875 0.956248768607547 0.811118429279727 0 1 1 1 0 +"4374" 706 877 878 1 241.099548339844 3664.01904296875 0.721943702539504 1.53606459611437 1 1 1 1 1 +"4396" 4943 5819 5821 1 153.068374633789 12201.0009765625 4.14758009761092 8.130925297942 1 1 1 1 1 +"4198" 5434 6393 6394 1 152.050231933594 16041.5322265625 0.72200368778781 0.582226026086697 1 1 1 1 1 +"4203" 2923 3460 3464 1 211.111999511719 17646.267578125 3.33311161504984 4.90274835549978 1 1 1 1 1 +"4381" 412 534 535 1 181.065338134766 6696.63623046875 0.515796569908738 1.09594779121056 1 1 1 1 1 +"351" 3614 4265 4270 1 227.184051513672 1379.45959472656 0.351227728550198 0.273883666957348 0 1 1 1 0 +"2758" 285 380 386 1 199.016052246094 2621.77075195312 0.63640888075541 2.39984559318697 0 1 1 1 0 +"4224" 4600 5420 5421 1 252.050506591797 8114.98486328125 0.928025397184188 0.855520468368679 1 1 1 1 1 +"1158" 2051 2445 2447 1 140.95149230957 1119.27758789062 0.667246142109312 4.61134331305476 1 1 1 1 1 +"4227" 5243 6169 6171 1 203.171920776367 3520.97802734375 0.409387924725829 0.535958194291195 1 1 1 1 1 +"4383" 2075 2473 2475 1 229.098937988281 4465.87548828125 0.913154179875173 1.59169575283877 1 1 1 1 1 +"4641" 5108 6008 6013 1 241.10139465332 17249.984375 0.861668432379601 1.35972792607803 0 1 1 1 0 +"4409" 2878 3411 3412 1 241.101425170898 10654.52734375 0.774125057162329 0.891446593663253 1 1 1 1 1 +"2634" 1137 1374 1380 1 401.011535644531 1181.66674804688 0.486031473055523 2.47720094028374 0 1 1 1 0 +"4990" 5105 6008 6010 1 291.052673339844 4100.32666015625 0.298091504472578 0.296366834614822 1 1 1 1 1 +"327" 2317 2753 2757 1 119.068252563477 2649.46923828125 0.661018644333327 0.478699724483609 0 1 1 1 0 +"4224" 4649 5476 5478 1 696.192565917969 4671.78857421875 1.63970086045186 2.38403788338171 1 1 1 1 1 +"721" 121 191 195 1 118.065422058105 21043.044921875 5.78594407070759 56.47239791815 0 1 1 1 0 +"1128" 3802 4489 4490 1 155.974258422852 3224.11865234375 1.56611807822959 12.4112528025431 0 1 1 1 0 +"3312" 4888 5756 5757 1 421.295959472656 4900.4716796875 1.13194663517059 3.66798383458985 1 1 1 1 1 +"4405" 4618 5441 5442 1 215.025344848633 18044.09765625 2.4070755464515 1.87360577407307 1 1 1 1 1 +"1161" 1515 1815 1821 1 51.9402885437012 1706.40014648438 1.00488853052692 0.601358870931328 1 1 1 1 1 +"4858" 5121 6022 6028 1 196.085235595703 1691.05017089844 0.527342986878972 0.204455840891701 1 1 1 1 1 +"4218" 3988 4706 4707 1 115.046524047852 6185.1904296875 0.581086676356896 0.609064384265698 1 1 1 1 1 +"4379" 2489 2956 2958 1 103.987823486328 1975.61584472656 0.432796312836613 0.675972870622128 1 1 1 1 1 +"82" 3349 3957 3961 1 82.9378814697266 8345.90234375 2.77686432696683 1.42060239603925 0 1 1 1 0 +"4411" 4316 5084 5089 1 168.058120727539 1196.37878417969 0.545537619846462 2.34422443065833 1 1 1 1 1 +"4557" 1204 1458 1459 1 101.254325866699 2211.83959960938 0.760502102741585 0.738664169356343 1 1 1 1 1 +"4103" 5422 6379 6380 1 153.07014465332 4616.390625 1.02248309991744 2.71741584789042 1 1 1 1 1 +"2424" 4848 5707 5710 1 350.063323974609 35984.5234375 8.90464250568183 24.3311676957803 1 1 1 1 1 +"3194" 2619 3103 3109 1 65.7337875366211 1463.74035644531 0.493135560285 0.908958165938742 0 1 1 1 0 +"4207" 1030 1255 1256 1 105.069801330566 13092.7763671875 1.60961023657615 3.10417836994363 1 1 1 1 1 +"4216" 1320 1591 1594 1 696.192932128906 15145.0009765625 5.86324669673308 19.9365272438567 1 1 1 1 1 +"347" 1729 2067 2071 1 120.063842773438 1692.61181640625 0.385073927856951 0.294137844899457 0 1 1 1 0 +"4229" 2350 2795 2796 1 253.101287841797 28426.1015625 1.93477280899817 1.82117705383412 1 1 1 1 1 +"1648" 4219 4972 4976 1 66.8907012939453 2569.4931640625 1.40432511406191 0.628044840507472 1 1 1 1 1 +"4858" 5145 6050 6056 1 152.443649291992 1136.82482910156 0.465375347262442 0.36942281516315 1 1 1 1 1 +"2238" 1891 2256 2260 1 64.6227874755859 1542.44909667969 0.438612294945623 0.42091823831504 1 1 1 1 1 +"316" 4684 5518 5519 1 97.0077972412109 142347.8125 18.744194123922 12.5602156225542 0 1 1 1 0 +"2726" 5126 6029 6034 1 368.112945556641 38669.05859375 2.45476873867338 14.673184228694 0 1 1 1 0 +"348" 2915 3453 3455 1 59.076358795166 2832.11083984375 0.689716215914112 0.512824158711915 0 1 1 1 0 +"85" 4113 4846 4852 1 106.073600769043 3781.10888671875 1.65813500386392 0.69367302092001 0 1 1 1 0 +"2618" 789 968 974 1 445.121887207031 3783.41381835938 1.26384490022208 4.87523485142259 0 1 1 1 0 +"336" 3463 4090 4094 1 120.063354492188 1574.30236816406 0.343071358776654 0.277165726900103 0 1 1 1 0 +"319" 3653 4314 4316 1 118.086456298828 541955.625 145.275323818946 100 0 1 1 1 0 +"345" 2235 2655 2661 1 117.057426452637 2506.9140625 0.569476805884839 0.369135566260412 0 1 1 1 0 +"744" 4947 5819 5825 1 131.073272705078 3957.98120117188 1.94652659073217 13.7646207201693 1 1 1 1 1 +"235" 4732 5574 5575 1 102.943862915039 8531.3251953125 1.82377872514899 1.22935592426802 1 1 1 1 1 +"340" 249 338 344 1 91.0543518066406 78189.640625 4.33491592992511 1.90665087151525 0 1 1 1 0 +"3034" 2586 3068 3071 1 322.978271484375 7684.6015625 3.38419329260262 21.0708793758782 0 1 1 1 0 +"356" 4429 5217 5221 1 119.957305908203 7393.65087890625 1.87079350288862 1.35887923539791 0 1 1 1 0 +"2767" 613 765 769 1 328.081359863281 2289.2119140625 0.898051214310876 3.11041722196728 0 1 1 1 0 +"2403" 2332 2774 2775 1 359.007904052734 23536.97265625 8.24940546185725 29.5952468544277 1 1 1 1 1 +"2357" 2814 3334 3337 1 265.071746826172 1296.98718261719 0.700795826509728 0.467733146989727 1 1 1 1 1 +"55" 3632 4286 4291 1 133.960067749023 2687.52880859375 0.74764698834884 0.215377880635753 1 1 1 1 1 +"27" 1351 1626 1630 1 62.9347229003906 6623.79345703125 1.64922979625633 0.584325573799207 1 1 1 1 1 +"341" 3753 4426 4432 1 217.378921508789 2374.33276367188 0.462362887613484 0.215422361900979 0 1 1 1 0 +"348" 2844 3369 3372 1 95.9439544677734 4733.87158203125 0.431302635105148 0.32671135940484 0 1 1 1 0 +"4220" 4757 5602 5604 1 211.111770629883 9093.4697265625 2.50568026862625 4.59559211094133 1 1 1 1 1 +"330" 4901 5770 5772 1 68.9910507202148 2111.40234375 0.284023733933502 0.226940086900093 0 1 1 1 0 +"884" 1599 1913 1919 1 55.0546684265137 1544.48803710938 0.587557628724778 0.30617325863075 1 1 1 1 1 +"4196" 2014 2403 2404 1 233.082061767578 13461.59765625 0.644079059537432 0.656160257444095 1 1 1 1 1 +"4214" 292 394 395 1 177.069793701172 7479.03759765625 0.444749637599059 0.480705094717678 1 1 1 1 1 +"4555" 2648 3138 3143 1 609.639709472656 1084.22241210938 0.802824453924672 1.14545881958218 1 1 1 1 1 +"4553" 3024 3579 3582 1 204.380828857422 995.078308105469 0.630289590413286 0.772459002960415 1 1 1 1 1 +"3155" 129 198 204 1 223.107330322266 1036.65844726562 0.518238127087035 1.95859943064468 0 1 1 1 0 +"336" 3405 4020 4026 1 78.9306793212891 43267.80859375 12.0842585206408 8.25498523478569 0 1 1 1 0 +"4413" 2267 2697 2699 1 77.0166015625 18561.384765625 1.3506213494419 1.56982164935266 1 1 1 1 1 +"4406" 2837 3362 3364 1 154.074523925781 8305.48046875 0.726828175644881 0.724986401835711 1 1 1 1 1 +"57" 3469 4097 4101 1 58.0654029846191 1551.31604003906 0.365653121257045 0.117327707392357 1 1 1 1 1 +"2658" 4899 5763 5769 1 105.07007598877 4650.74658203125 1.51187116522909 3.78434238439759 0 1 1 1 0 +"4226" 1740 2081 2084 1 115.054542541504 22966.802734375 9.42051924600615 27.048108772059 1 1 1 1 1 +"334" 5355 6295 6301 1 138.033996582031 1344.064453125 0.364741196697983 0.266291344596597 0 1 1 1 0 +"2605" 1917 2284 2290 1 404.579742431641 2230.31787109375 0.781302114028734 2.60372831234887 0 1 1 1 0 +"337" 3906 4608 4611 1 117.982566833496 4191.80029296875 0.441401263798534 0.348610319421002 0 1 1 1 0 +"112" 2499 2963 2969 1 81.0700302124023 20467.505859375 7.65796555386789 12.4590419764932 0 1 1 1 0 +"4209" 1361 1640 1642 1 233.037094116211 11387.328125 4.78983278894347 13.0413036919543 1 1 1 1 1 +"206" 2184 2599 2602 1 68.2147979736328 11541.18359375 1.35016510092217 0.377666634038721 1 1 1 1 1 +"3994" 5299 6232 6236 1 52.1227760314941 1108.33959960938 0.333529714887485 0.84590034064389 0 1 1 1 0 +"4401" 1931 2305 2307 1 198.0390625 9517.6298828125 0.663772852525846 0.620866514155262 1 1 1 1 1 +"4394" 3983 4699 4701 1 180.033569335938 6013.68212890625 1.58780207557453 3.07530848317854 1 1 1 1 1 +"4412" 5104 6008 6009 1 52.9825019836426 57611.84375 0.402928256982684 0.945209756103163 1 1 1 1 1 +"28" 426 548 551 1 120.023582458496 2097.4521484375 0.746766630017185 0.189862418880902 1 1 1 1 1 +"148" 1956 2333 2336 1 68.0576782226562 2461.10986328125 0.690877248483466 1.53948057409319 1 1 1 1 1 +"333" 1602 1920 1923 1 75.9355239868164 31586.67578125 7.28427295138975 5.54188605698993 0 1 1 1 0 +"4208" 4288 5056 5057 1 91.0543975830078 30676.3046875 7.07947203932903 12.1128279955332 1 1 1 1 1 +"2539" 5112 6015 6018 1 152.062393188477 169142.125 10.5404087816649 8.08869984355659 1 1 1 1 1 +"326" 2101 2501 2505 1 76.9331283569336 484164.03125 52.5361728226825 30.5715587925452 0 1 1 1 0 +"4284" 5101 6001 6005 1 263.04736328125 224899.15625 1 0.982998976567035 0 1 1 1 0 +"330" 4720 5560 5561 1 148.951614379883 7993.42578125 0.964672799828403 0.664485357816759 0 1 1 1 0 +"4214" 443 569 571 1 171.079971313477 5224.73583984375 0.682252028829743 1.33899251956273 1 1 1 1 1 +"3046" 1743 2081 2087 1 246.009323120117 1880.70642089844 0.848378313669121 2.93892630398526 0 1 1 1 0 +"2767" 613 765 769 1 400.128479003906 1489.96435546875 0.584508708210445 2.02445687220937 0 1 1 1 0 +"4381" 403 520 524 1 275.074951171875 4182.3408203125 1.48948889730542 2.49955468450886 1 1 1 1 1 +"2222" 4924 5798 5799 1 172.084899902344 12642.9169921875 2.52049983057267 2.01276785730277 1 1 1 1 1 +"4538" 1642 1969 1970 1 72.143310546875 1108.39404296875 0.848626688994609 0.645156414728696 1 1 1 1 1 +"345" 2255 2683 2685 1 90.9476013183594 6287.94189453125 0.493616701415733 0.384267286678084 0 1 1 1 0 +"1161" 1501 1801 1805 1 232.844955444336 17855.763671875 0.715248043095056 0.190815510632474 0 1 1 1 0 +"3622" 4928 5798 5803 1 135.080657958984 8642.212890625 5.0023414491039 7.43129099055016 1 1 1 1 1 +"4990" 5105 6008 6010 1 242.104293823242 15795.9345703125 1.14835579964144 1.14171175040185 1 1 1 1 1 +"4216" 1300 1570 1571 1 233.036743164062 259246.9375 11.5558745051122 15.7866194716779 1 1 1 1 1 +"39" 1185 1430 1436 1 124.985122680664 5469.64697265625 1.51465140977738 0.48107831584511 1 1 1 1 1 +"4214" 80 145 147 1 97.0651245117188 8080.6435546875 2.09110927555867 0.863388222200319 1 1 1 1 1 +"4859" 5175 6085 6091 1 179.083572387695 5544.25390625 2.10797771968919 2.30200979368134 1 1 1 1 1 +"4066" 4503 5301 5307 1 177.11247253418 7122.42333984375 2.70800473144027 16.9581791989607 1 1 1 1 1 +"4382" 3257 3852 3854 1 654.034973144531 1690.08764648438 0.447172717047169 0.716574547016671 1 1 1 1 1 +"22" 4338 5112 5115 1 65.9256744384766 5482.9365234375 1.44122733605829 0.473414099315579 1 1 1 1 1 +"340" 260 352 357 1 90.0373001098633 6711.26123046875 1.01701919201856 0.879058658013354 0 1 1 1 0 +"4382" 3257 3852 3854 1 228.092575073242 2688.01245117188 0.711209169386861 1.1396813109547 1 1 1 1 1 +"4379" 2459 2921 2923 1 181.036529541016 1122.04467773438 0.485533419930556 2.02029354744644 1 1 1 1 1 +"4194" 2645 3138 3140 1 212.792007446289 2614.07177734375 0.382718494089281 0.66862457638607 1 1 1 1 1 +"346" 2016 2403 2406 1 92.2077941894531 3108.33862304688 0.387016066339454 0.208444249244258 0 1 1 1 0 +"2613" 536 674 679 1 380.999053955078 6499.21435546875 1.79608484571615 4.23761464719071 0 1 1 1 0 +"4736" 5103 6001 6007 1 105.068992614746 14661.4970703125 0.680404378481247 2.38745672184247 1 1 1 1 1 +"2235" 3384 3999 4002 1 65.0388259887695 1178.85754394531 0.500114888866966 0.412471120703276 1 1 1 1 1 +"1252" 680 842 847 1 208.93620300293 4492.658203125 1.88125110537481 1.56067216942727 1 1 1 1 1 +"2658" 4903 5770 5774 1 242.048004150391 9474.5322265625 2.36820014895959 12.1016984526564 0 1 1 1 0 +"59" 931 1136 1140 1 61.9280433654785 3042.72192382812 0.873189547106877 0.252061183965615 1 1 1 1 1 +"4219" 3436 4062 4063 1 239.086486816406 5375.0966796875 0.78900201998946 1.48821393616335 1 1 1 1 1 +"2241" 5050 5945 5946 1 291.056579589844 2566.98706054688 0.590316453009832 0.423247232872787 1 1 1 1 1 +"4374" 807 989 995 1 252.050445556641 1993.82092285156 0.951511171067791 3.23057562866766 1 1 1 1 1 +"340" 260 352 357 1 118.94319152832 2400.923828125 0.363834088396414 0.314479321526341 0 1 1 1 0 +"323" 645 800 806 1 96.9602890014648 9743.4541015625 2.45249465445454 9.49661627083539 0 1 1 1 0 +"1308" 4826 5679 5684 1 131.085372924805 2226.8876953125 1.03931418015726 1.41846700241771 1 1 1 1 1 +"1836" 4722 5560 5563 1 223.144424438477 2473.01293945312 1.21052777816119 1.93048956771199 1 1 1 1 1 +"2557" 2622 3110 3113 1 369.298034667969 3003.42846679688 0.717056673916674 0.314736782644567 1 1 1 1 1 +"2432" 4221 4972 4978 1 228.260406494141 1210.50903320312 0.920271115772664 2.97064920731801 1 1 1 1 1 +"4382" 3231 3817 3823 1 715.164001464844 71136.703125 33.765679740495 100 1 1 1 1 1 +"3155" 218 303 308 1 322.042724609375 2054.94848632812 0.606036991929773 3.60157466382612 0 1 1 1 0 +"2163" 3079 3642 3646 1 321.098449707031 805893.75 157.451380707858 57.5608327600746 0 1 1 1 0 +"4549" 3319 3922 3926 1 718.171264648438 5225.61376953125 4.21122431683805 4.95791134638328 1 1 1 1 1 +"3071" 667 828 832 1 355.027557373047 2526.556640625 0.528402868908269 3.50195547958222 0 1 1 1 0 +"4223" 3544 4188 4189 1 77.1324844360352 5599.0615234375 0.90385588850996 1.80939155625879 1 1 1 1 1 +"350" 4111 4846 4850 1 77.9333877563477 13532.00390625 3.52136298837178 2.60776154872894 0 1 1 1 0 +"2605" 1917 2284 2290 1 402.570739746094 6970.07763671875 2.44168621123148 8.13704123398986 0 1 1 1 0 +"78" 2925 3460 3466 1 139.054916381836 3317.50756835938 1.03253746036947 0.486745353566323 0 1 1 1 0 +"3307" 5060 5952 5957 1 57.0701942443848 9427.84375 5.52514098847025 45.1005589713567 1 1 1 1 1 +"4223" 3622 4279 4280 1 211.112014770508 68220.4375 5.42080023887681 4.96771723588213 1 1 1 1 1 +"4224" 4649 5476 5478 1 245.036209106445 1666.20739746094 0.584804226455138 0.850274256638851 1 1 1 1 1 +"4641" 5113 6015 6019 1 193.064712524414 7609.50927734375 0.47145157572285 0.433585114897494 0 1 1 1 0 +"4859" 5175 6085 6091 1 165.070861816406 4752.9140625 1.8071028341709 1.97344041333799 1 1 1 1 1 +"4371" 1084 1318 1319 1 252.050994873047 8026.81591796875 1.44707558394968 3.19287242326021 1 1 1 1 1 +"4564" 3530 4167 4172 1 146.221038818359 1054.15600585938 0.859717621558811 1.1041032203209 1 1 1 1 1 +"3481" 2220 2641 2644 1 312.059326171875 3981.51538085938 1.31740309102822 4.52165617820597 1 1 1 1 1 +"4996" 5088 5987 5990 1 171.080596923828 68650.953125 1.34924945087506 0.586632527591427 1 1 1 1 1 +"116" 3909 4608 4614 1 60.9867172241211 11642.896484375 5.23474352949803 9.9719284757435 0 1 1 1 0 +"357" 3501 4132 4138 1 103.941947937012 13098.533203125 2.68653659975778 1.29370537073161 0 1 1 1 0 +"4395" 1991 2375 2377 1 154.073333740234 13433.3935546875 1.82222533378709 3.495323565471 1 1 1 1 1 +"352" 2526 2998 3001 1 120.08935546875 14734.958984375 3.8582753696547 2.80420650880789 0 1 1 1 0 +"1136" 2052 2445 2448 1 117.033889770508 24716.59375 2.63085883486506 3.26845578232417 1 1 1 1 1 +"4401" 1889 2256 2258 1 53.0388946533203 45674.828125 2.74180489703655 3.78873802198513 1 1 1 1 1 +"332" 1639 1962 1966 1 108.182266235352 1699.37902832031 0.421583838000127 0.324206577563825 0 1 1 1 0 +"353" 3052 3614 3615 1 118.065040588379 32606.94140625 3.80548629508966 2.35837084330696 0 1 1 1 0 +"4211" 1614 1934 1937 1 228.095001220703 1472.07653808594 0.541175586259479 2.13181546611579 1 1 1 1 1 +"4395" 1948 2326 2327 1 230.105667114258 2794.97485351562 0.413126052011613 0.77577569430988 1 1 1 1 1 +"3038" 1425 1710 1716 1 367.543182373047 9304.28125 3.93396387339974 14.034716404448 0 1 1 1 0 +"2044" 4941 5812 5818 1 52.875904083252 1158.47912597656 0.612592858680522 1.35213014965905 1 1 1 1 1 +"319" 3653 4314 4316 1 79.0544815063477 5181.26318359375 1.38887697085489 0.956030889723444 0 1 1 1 0 +"344" 4342 5119 5120 1 117.057716369629 3562.98706054688 0.427610591537661 0.277278979857658 0 1 1 1 0 +"4103" 5453 6414 6416 1 58.0735092163086 12734.037109375 1.47890709495017 2.93058238797668 1 1 1 1 1 +"4207" 1027 1248 1252 1 354.883697509766 2496.69946289062 0.934627072001193 2.72106393970666 1 1 1 1 1 +"1136" 2093 2494 2496 1 181.087875366211 2727.2080078125 0.982854056830589 0.905332481813349 1 1 1 1 1 +"350" 4111 4846 4850 1 118.103637695312 1960.03161621094 0.510048832174509 0.377719007359078 0 1 1 1 0 +"2060" 2323 2760 2764 1 304.053771972656 460523.40625 78.7190325144868 18.434994777017 1 1 1 1 1 +"4210" 3220 3810 3811 1 340.081329345703 19898.212890625 1.20040412176392 1.14372844359641 1 1 1 1 1 +"4228" 2056 2452 2453 1 252.093078613281 16918.748046875 0.844828070484791 0.814254211186705 1 1 1 1 1 +"4394" 3941 4650 4652 1 292.081787109375 4478.6064453125 0.704213517631047 2.10807304077661 1 1 1 1 1 +"4213" 2488 2956 2957 1 181.064453125 5522.93798828125 0.78419973332579 1.15828936760659 1 1 1 1 1 +"758" 4469 5266 5268 1 91.0543441772461 10402.66015625 4.1829309056946 26.4974351601215 1 1 1 1 1 +"4858" 5122 6029 6030 1 161.272918701172 8429.15234375 0.459083597771708 0.463085501706838 1 1 1 1 1 +"4382" 3274 3873 3874 1 368.113403320312 280318.34375 22.2321812634732 25.7269504522457 1 1 1 1 1 +"3770" 5064 5959 5962 1 57.0701866149902 3956.12719726562 1.5756318090934 3.82577873143998 1 1 1 1 1 +"350" 4139 4881 4883 1 76.9331512451172 315453.84375 31.4175221166552 25.6146746668412 0 1 1 1 0 +"3061" 927 1129 1135 1 251.04801940918 2027.18347167969 0.899215907070211 5.87214291719443 0 1 1 1 0 +"22" 4256 5014 5019 1 105.033622741699 4217.30322265625 1.21189535369843 0.375272188266513 1 1 1 1 1 +"3297" 1841 2200 2202 1 121.101020812988 1016.85888671875 0.832150273402275 8.21374615802814 1 1 1 1 1 +"2724" 228 317 320 1 261.993896484375 4489.63427734375 1.29361646629767 3.85436298766976 0 1 1 1 0 +"4284" 5101 6001 6005 1 176.018676757812 82328.015625 0.366066360575775 0.359842857801606 0 1 1 1 0 +"96" 5366 6309 6314 1 92.0576248168945 2445.10791015625 0.991381750486564 0.50322174483796 0 1 1 1 0 +"2634" 1135 1374 1378 1 396.066467285156 2471.50122070312 0.705088745106675 1.86003591899788 0 1 1 1 0 +"2605" 1791 2137 2143 1 327.078643798828 7027.83740234375 2.91157226198021 8.59131103174827 0 1 1 1 0 +"4393" 5414 6365 6370 1 57.5191116333008 1174.72375488281 0.476804045305054 0.825153524113374 1 1 1 1 1 +"4380" 4693 5525 5529 1 73.2952728271484 1101.10522460938 0.61992834118823 2.22994310176094 1 1 1 1 1 +"4378" 4402 5189 5190 1 153.070281982422 33306.75 3.48325891882576 4.53902502115951 1 1 1 1 1 +"4214" 201 282 288 1 133.065307617188 3098.11108398438 1.15238718811312 3.36848346168783 1 1 1 1 1 +"880" 1999 2382 2386 1 81.0699234008789 2471.3447265625 0.889120734173873 0.565551235061345 1 1 1 1 1 +"4571" 5269 6197 6201 1 390.309051513672 1783.88122558594 0.600819802347536 0.854300659665997 1 1 1 1 1 +"882" 5072 5966 5971 1 95.0857162475586 7267.24267578125 3.04208040975551 1.67682644617522 1 1 1 1 1 +"60" 2830 3355 3356 1 124.015190124512 2997.94262695312 0.776819740586956 0.226835297772661 1 1 1 1 1 +"4540" 2146 2557 2558 1 97.3809204101562 1177.99487304688 0.938039693400394 0.995712112518389 1 1 1 1 1 +"2724" 231 317 323 1 503.044494628906 5841.61474609375 1.62217202983281 4.70980870998175 0 1 1 1 0 +"313" 1496 1794 1799 1 115.05436706543 8539.947265625 0.572927549076735 0.591858568881995 0 1 1 1 0 +"4406" 2837 3362 3364 1 53.0387763977051 17707.56640625 1.54962235292599 1.54569562861981 1 1 1 1 1 +"4203" 2923 3460 3464 1 154.073455810547 10569.4228515625 1.99640325722973 2.93655416221371 1 1 1 1 1 +"2605" 1917 2284 2290 1 167.085144042969 1659.1416015625 0.581213493186107 1.93692299119032 0 1 1 1 0 +"4398" 3083 3649 3651 1 253.101776123047 17976.888671875 1.58490595603188 2.55900273747159 1 1 1 1 1 +"349" 136 212 213 1 60.0446014404297 12148.703125 0.31168452683515 0.176013354754683 0 1 1 1 0 +"4399" 2998 3551 3552 1 102.046875 6763.9140625 0.527729854657004 0.723701830308676 1 1 1 1 1 +"732" 4428 5217 5220 1 147.044738769531 1710.33435058594 0.862154552751902 4.72485999284762 1 1 1 1 1 +"329" 756 933 936 1 104.06209564209 7077.4951171875 1.5578834888346 1.30777845629835 0 1 1 1 0 +"4564" 3628 4286 4287 1 354.896942138672 4138.74755859375 1.45827351212284 1.49249085167028 1 1 1 1 1 +"4206" 3220 3810 3811 1 255.057357788086 20609.099609375 1.24328995035493 1.18458946789434 1 1 1 1 1 +"742" 559 702 706 1 64.9274826049805 6835.35302734375 3.49049533210742 16.9901813114163 0 1 1 1 0 +"2724" 228 317 320 1 149.593002319336 1409.81494140625 0.406215675926865 1.21032988300218 0 1 1 1 0 +"330" 4777 5623 5627 1 104.939193725586 3457.16577148438 0.706393062412537 0.577805952538137 0 1 1 1 0 +"3249" 5402 6351 6356 1 137.132766723633 49587.296875 15.068195246123 58.496571496297 1 1 1 1 1 +"4407" 5152 6064 6065 1 211.111938476562 44291.53125 1.87737693170458 4.09225326004982 1 1 1 1 1 +"753" 2700 3201 3204 1 91.0542526245117 9868.0234375 3.75472438286064 19.5456432962304 1 1 1 1 1 +"3045" 2799 3313 3319 1 339.96533203125 4165.01611328125 1.78682963145441 10.2394289377796 0 1 1 1 0 +"881" 4808 5658 5663 1 63.3347473144531 1001.95147705078 0.377552867377989 0.30250240082929 1 1 1 1 1 +"1294" 4898 5763 5768 1 184.125335693359 40537.65234375 7.2097250263164 5.52803239264803 1 1 1 1 1 +"147" 1507 1808 1812 1 66.6752243041992 11064.546875 4.86118641548032 7.54533448950231 1 1 1 1 1 +"356" 4493 5294 5296 1 90.0372543334961 4980.3525390625 0.800864985774107 0.446941063286593 0 1 1 1 0 +"3688" 5029 5917 5921 1 511.437622070312 1053.43981933594 0.570058480382022 0.830484662705346 1 1 1 1 1 +"27" 1351 1626 1630 1 223.328338623047 1191.52685546875 0.29667313841024 0.105111914801612 1 1 1 1 1 +"344" 4342 5119 5120 1 78.9972305297852 66952.3984375 8.03526766003194 5.21037332505047 0 1 1 1 0 +"742" 517 653 657 1 68.4751739501953 2992.54125976562 1.47410023965428 5.924599303532 0 1 1 1 0 +"4905" 5307 6239 6245 1 407.141448974609 268843 49.7848043945933 32.6710344628537 1 1 1 1 1 +"4192" 3766 4447 4448 1 54.1077919006348 4418.85693359375 0.413523134957368 0.375012085161539 1 1 1 1 1 +"2217" 2017 2403 2407 1 328.122161865234 1569.10229492188 0.673026710824128 0.442780891870022 1 1 1 1 1 +"884" 1339 1612 1616 1 135.117248535156 3042.26049804688 0.913349704501358 0.678393919070906 1 1 1 1 1 +"52" 1989 2368 2374 1 65.9256591796875 3754.7177734375 1.23843926923718 0.302544030440191 1 1 1 1 1 +"28" 385 499 503 1 106.07283782959 2217.34936523438 0.51314771581864 0.160734664602844 1 1 1 1 1 +"2277" 5004 5889 5892 1 276.031951904297 11221.5517578125 4.50805022349254 5.29650369431081 0 1 1 1 0 +"4387" 2572 3054 3055 1 211.112258911133 9337.1591796875 1.76136936287024 4.06537870663854 1 1 1 1 1 +"4404" 3606 4258 4261 1 235.042831420898 1805.15930175781 0.779666946100839 3.08993142379121 1 1 1 1 1 +"357" 3574 4223 4224 1 59.9306144714355 26737.74609375 3.17810494909214 2.0700497692869 0 1 1 1 0 +"4404" 3691 4356 4360 1 179.081665039062 8011.49169921875 3.71577312034822 10.8107506025675 1 1 1 1 1 +"3815" 5322 6260 6263 1 732.132446289062 2977.2890625 0.773454359887405 0.628945338810545 1 1 1 1 1 +"346" 1981 2361 2365 1 103.814819335938 1305.32177734375 0.278264034810237 0.248917018288507 0 1 1 1 0 +"4103" 5410 6365 6366 1 307.109222412109 14184.509765625 1.15930665424108 1.92054052737821 1 1 1 1 1 +"337" 4010 4727 4732 1 59.0732688903809 161730.9375 35.7554369914585 29.9780768164071 0 1 1 1 0 +"4410" 5286 6218 6221 1 77.2395095825195 3820.23095703125 1.40415625843236 2.53033759718981 1 1 1 1 1 +"4211" 1619 1941 1943 1 77.2394714355469 2656.13403320312 0.367028876110539 0.536027468649853 1 1 1 1 1 +"317" 1834 2193 2194 1 170.602920532227 3917.44775390625 0.367158864098098 0.224728141159049 0 1 1 1 0 +"4404" 3562 4209 4210 1 255.112182617188 6033.501953125 0.549549586010324 0.80383149828394 1 1 1 1 1 +"80" 4154 4895 4900 1 107.049476623535 9937.03125 3.57632203916206 1.83301463506416 0 1 1 1 0 +"325" 1123 1360 1364 1 90.9480056762695 2110.42138671875 0.375621200377677 0.366030225582876 0 1 1 1 0 +"342" 4601 5420 5422 1 55.0570373535156 1225.68725585938 0.278806834267925 0.228324917141825 0 1 1 1 0 +"4408" 2681 3180 3182 1 210.067947387695 8823.830078125 0.752028270716967 0.805392884460086 1 1 1 1 1 +"3155" 224 310 315 1 153.069488525391 4681.4951171875 2.13027711571777 15.5653043582389 0 1 1 1 0 +"3155" 224 310 315 1 215.026550292969 5157.65771484375 2.34695111830804 17.1484771632939 0 1 1 1 0 +"4386" 4103 4839 4841 1 184.084106445312 5012.80126953125 1.3384012290451 2.70460850278483 1 1 1 1 1 +"672" 1992 2375 2378 1 121.524635314941 1863.50231933594 0.43599912810519 2.24385650763014 1 1 1 1 1 +"4223" 3586 4237 4238 1 255.057922363281 17596.08984375 1.14213051150007 1.25672296438622 1 1 1 1 1 +"243" 2226 2648 2651 1 98.9745178222656 4730.671875 0.422337006624059 0.184809177929847 1 1 1 1 1 +"4284" 5101 6001 6005 1 156.088653564453 223141.390625 0.992184205337587 0.975316058412824 0 1 1 1 0 +"2566" 4909 5777 5781 1 73.0467910766602 1719.81457519531 0.560256637536244 0.477202052833888 0 1 1 1 0 +"3994" 5291 6225 6227 1 280.516479492188 1960.13061523438 0.459223951249143 0.770879221064444 1 1 1 1 1 +"4378" 4390 5175 5176 1 117.070121765137 5299.26318359375 1.84634960784454 3.0702503765246 1 1 1 1 1 +"3994" 5299 6232 6236 1 71.0857086181641 2005.033203125 0.603369357924154 1.53026948610652 0 1 1 1 0 +"4103" 5331 6267 6273 1 105.070137023926 4109.8994140625 1.39934869427966 1.95262817683803 1 1 1 1 1 +"4682" 350 457 462 1 66.8904724121094 5822.7587890625 4.75928513801217 18.3032438999982 1 1 1 1 1 +"318" 4306 5077 5078 1 106.991966247559 5415.25244140625 0.724150857206734 0.520413124505679 0 1 1 1 0 +"744" 5456 6414 6419 1 149.959899902344 1117.29724121094 0.637128178997892 3.06910103754397 1 1 1 1 1 +"2727" 759 933 939 1 393.564483642578 53198.24609375 18.5297054797497 66.7848847923736 0 1 1 1 0 +"22" 4500 5301 5304 1 105.002655029297 1266.94677734375 0.314529173329448 0.108401329990783 1 1 1 1 1 +"2618" 709 877 881 1 368.112976074219 11381.9521484375 2.80083990695924 7.02706078707872 0 1 1 1 0 +"726" 720 891 894 1 97.0078811645508 2790.95751953125 1.10839095698201 5.85152065310391 1 1 1 1 1 +"4393" 5414 6365 6370 1 339.078796386719 2860.02001953125 1.16084237617377 2.00894515697134 1 1 1 1 1 +"340" 267 359 365 1 119.96728515625 1416.23681640625 0.348274413705556 1.12143225268687 0 1 1 1 0 +"4373" 1684 2018 2019 1 273.068664550781 126853.8515625 7.30143519154511 7.67888940434723 1 1 1 1 1 +"4379" 2417 2872 2874 1 152.062377929688 5242.97705078125 2.70573167258446 5.78664949816782 1 1 1 1 1 +"4570" 4573 5385 5389 1 461.154937744141 1110.94091796875 0.823482125729756 1.21876945032638 1 1 1 1 1 +"2724" 181 261 265 1 136.908889770508 7037.60986328125 1.26196005618352 5.24408458969928 0 1 1 1 0 +"2225" 419 541 543 1 168.057220458984 27422.125 6.26083381372383 6.66636481540681 1 1 1 1 1 +"4219" 3442 4069 4070 1 292.083709716797 8090.94482421875 0.545719922271182 0.531448596429743 1 1 1 1 1 +"354" 882 1080 1083 1 118.07738494873 2886.83618164062 0.65778136101243 0.526770291378369 0 1 1 1 0 +"2613" 561 702 708 1 253.099426269531 2168.2841796875 0.878277821163357 3.26502838632125 0 1 1 1 0 +"35" 4008 4727 4730 1 65.92578125 3934.76684570312 1.03547646853343 0.332541244906472 1 1 1 1 1 +"4227" 5350 6295 6296 1 233.036819458008 391442.84375 15.8670032415854 13.5420442408632 1 1 1 1 1 +"4220" 4721 5560 5562 1 695.18798828125 38014.6171875 11.668202764977 19.7417799232217 1 1 1 1 1 +"320" 2609 3096 3098 1 120.056129455566 5573.716796875 1.37966463612329 0.913878469323352 0 1 1 1 0 +"2727" 759 933 939 1 402.067749023438 5888.5576171875 2.05106834076321 7.39247383013487 0 1 1 1 0 +"351" 3591 4237 4243 1 91.0543975830078 76805.671875 20.3020075944405 13.831440973721 0 1 1 1 0 +"3480" 2610 3096 3099 1 422.148010253906 1395.58215332031 0.697691111457266 7.81592612204796 1 1 1 1 1 +"4199" 1540 1850 1851 1 229.099014282227 10816.197265625 1.36183558474684 2.4629363172874 1 1 1 1 1 +"2618" 669 828 834 1 341.960571289062 5337.318359375 1.33659422948061 3.50448663422718 0 1 1 1 0 +"202" 4264 5028 5029 1 55.9347763061523 6149.03076171875 1.00782094273465 0.519297378008428 1 1 1 1 1 +"3049" 465 590 596 1 385.059448242188 19873.490234375 9.83110335912491 49.82526046645 0 1 1 1 0 +"1867" 5340 6281 6284 1 54.0058097839355 1953.82690429688 0.45493337847683 1.01701168016827 1 1 1 1 1 +"342" 4576 5392 5393 1 133.974914550781 24099.89453125 3.41387391738089 2.1536215376724 0 1 1 1 0 +"3059" 3417 4034 4040 1 60.8975257873535 950.273376464844 0.496957074230663 2.78207091868272 0 1 1 1 0 +"3043" 2131 2536 2540 1 394.063995361328 11436.0556640625 4.59743209900292 15.8862824486284 0 1 1 1 0 +"4685" 2007 2389 2395 1 733.140014648438 4432.63623046875 3.34635603833032 17.2888736311034 1 1 1 1 1 +"4404" 3659 4321 4323 1 369.116394042969 31155.865234375 7.34752508225448 15.9829505740788 1 1 1 1 1 +"4373" 1493 1794 1796 1 192.091506958008 3835.783203125 0.58128500008676 0.850003036589203 1 1 1 1 1 +"4381" 454 583 584 1 215.027053833008 8115.77392578125 1.58194993299526 3.15895710137129 1 1 1 1 1 +"2724" 231 317 323 1 188.493286132812 1629.72473144531 0.452562175115229 1.3139674676709 0 1 1 1 0 +"3155" 129 198 204 1 644.629760742188 1531.9423828125 0.765836571696382 2.89435878005073 0 1 1 1 0 +"4389" 3160 3740 3741 1 328.082946777344 29834.42578125 2.36900154227085 2.30980342340979 1 1 1 1 1 +"339" 1899 2263 2269 1 120.064094543457 1644.59057617188 0.318700526556031 0.288624225185025 0 1 1 1 0 +"4404" 3634 4293 4294 1 179.081634521484 28867.603515625 3.08282533324225 4.13012785707956 1 1 1 1 1 +"1806" 2049 2438 2444 1 265.951568603516 29421.439453125 9.89714299042325 29.969909876457 0 1 1 1 0 +"2222" 4936 5812 5813 1 215.026138305664 268506.3125 6.73078096609347 7.76417284261734 1 1 1 1 1 +"342" 4612 5434 5435 1 110.958892822266 10396.283203125 1.06921347813559 0.766026881913055 0 1 1 1 0 +"4371" 1042 1269 1270 1 251.047332763672 16456.85546875 3.26357935707846 6.80747348030136 1 1 1 1 1 +"4411" 4231 4986 4990 1 155.085632324219 1402.06494140625 0.718558855357364 2.41800686702299 1 1 1 1 1 +"4377" 983 1199 1201 1 694.185180664062 362223.9375 29.8607600347879 33.6437125268803 1 1 1 1 1 +"345" 2212 2634 2635 1 134.972671508789 99354.734375 8.14256818690942 6.02491591064448 0 1 1 1 0 +"4375" 3785 4468 4470 1 340.082550048828 9269.6025390625 1.95824202711563 4.05177159575944 1 1 1 1 1 +"336" 3466 4097 4098 1 135.9697265625 18257.71875 2.28469978944384 1.59441002569081 0 1 1 1 0 +"2321" 4934 5805 5810 1 135.117568969727 1370.13586425781 0.638070445336857 1.37034569844289 1 1 1 1 1 +"352" 2506 2977 2978 1 103.941513061523 21286.91015625 2.34848311975598 1.44788499419044 0 1 1 1 0 +"2225" 587 737 739 1 107.958404541016 1056.88366699219 0.449174139724015 0.31930535645685 1 1 1 1 1 +"2222" 4904 5770 5775 1 77.0391540527344 47457.375 1.51454247566499 0.797009537436833 0 1 1 1 0 +"325" 1080 1311 1314 1 59.0732498168945 161821.203125 35.0204142145486 28.3602268170353 0 1 1 1 0 +"353" 3089 3656 3658 1 59.076286315918 3581.2451171875 0.465561958437697 0.258927506683773 0 1 1 1 0 +"329" 744 919 922 1 77.9405746459961 3481.04418945312 0.640446062343514 0.64102057235185 0 1 1 1 0 +"733" 1987 2368 2372 1 130.078186035156 2618.72802734375 1.11564990241206 5.19867918785465 1 1 1 1 1 +"1037" 150 226 229 1 104.951934814453 3607.07666015625 0.712902001141833 1.67176122879312 0 1 1 1 0 +"4415" 4521 5322 5328 1 255.109222412109 1081.95178222656 0.643863175128028 1.98100949395222 1 1 1 1 1 +"2763" 132 205 208 1 290.543762207031 5670.14111328125 0.904210110308667 3.92509442306074 0 1 1 1 0 +"2216" 3840 4531 4534 1 141.069976806641 1346.26586914062 0.587553150161286 0.50837664332465 1 1 1 1 1 +"3031" 2006 2389 2394 1 383.560974121094 25750.236328125 11.2522670861193 41.2876085199004 0 1 1 1 0 +"3218" 4993 5875 5879 1 116.053283691406 3173.84130859375 1.34027669381919 18.4538293353799 1 1 1 1 1 +"4905" 5312 6246 6251 1 176.063003540039 4703.93603515625 0.755333150177808 0.517860894981125 1 1 1 1 1 +"3155" 248 338 343 1 81.0336685180664 3048.8935546875 1.37942039077142 5.9571713377749 0 1 1 1 0 +"4203" 2914 3453 3454 1 215.026123046875 49267.3046875 3.02310111493427 3.78016197867433 1 1 1 1 1 +"4214" 381 492 498 1 152.062652587891 5067 2.29403667884254 6.35063499887494 1 1 1 1 1 +"337" 3946 4657 4658 1 68.2370071411133 3070.50708007812 0.375069877537723 0.253903999005896 0 1 1 1 0 +"568" 101 170 172 1 103.943801879883 40643.88671875 6.81333857411031 3.46415866347317 0 1 1 1 0 +"2606" 3099 3663 3669 1 291.0791015625 1706.37670898438 0.656232954413421 2.98094837412191 0 1 1 1 0 +"4406" 2807 3327 3329 1 155.085708618164 6625.2158203125 1.22191123096882 2.05953620415556 1 1 1 1 1 +"4402" 3497 4132 4134 1 105.070121765137 4463.20703125 1.12051477261506 1.89159819759779 1 1 1 1 1 +"2222" 4936 5812 5813 1 327.381469726562 29202.25390625 0.732027388589667 0.844417193067378 1 1 1 1 1 +"4374" 706 877 878 1 152.062377929688 14776.3427734375 2.91147166178615 6.19467768266219 1 1 1 1 1 +"3053" 1881 2242 2248 1 91.0544509887695 2581.01025390625 1.05629947305016 3.6396467110523 0 1 1 1 0 +"882" 5193 6106 6112 1 72.9407043457031 933.9091796875 0.371854484859484 0.264288643061377 1 1 1 1 1 +"2648" 326 429 434 1 384.059844970703 37810.64453125 7.34033536855003 25.3093990542606 0 1 1 1 0 +"4393" 5454 6414 6417 1 370.119171142578 7961.8369140625 3.26570740672461 8.02912917110064 1 1 1 1 1 +"2467" 5165 6078 6080 1 287.007965087891 12746.8701171875 5.14085688595374 5.41542339127909 0 1 1 1 0 +"4206" 3209 3796 3798 1 77.2396011352539 2345.68505859375 0.478424521178415 0.621398319659775 1 1 1 1 1 +"4207" 1069 1297 1301 1 369.116516113281 65785.015625 30.7669147400242 75.8400561724688 1 1 1 1 1 +"4215" 4144 4888 4889 1 644.995361328125 1833.83288574219 0.433742922800317 0.605957448424695 1 1 1 1 1 +"203" 3904 4608 4609 1 116.984619140625 4878.23583984375 0.726359517544335 0.319867170388981 1 1 1 1 1 +"4224" 4577 5392 5394 1 184.083633422852 4613.818359375 1.16862857279608 1.90062699550648 1 1 1 1 1 +"319" 3688 4356 4357 1 104.939353942871 4647.9697265625 0.63454890564628 0.36241648900989 0 1 1 1 0 +"242" 3604 4258 4259 1 50.9641304016113 3401.2041015625 0.529678674331534 0.21160847014966 1 1 1 1 1 +"3309" 1119 1353 1359 1 136.802581787109 1089.06958007812 0.697457551725394 8.15126558685515 1 1 1 1 1 +"201" 4804 5658 5659 1 71.060546875 3423.14086914062 0.610325061167728 0.334742463447723 1 1 1 1 1 +"324" 4922 5791 5796 1 61.9862442016602 2011.16430664062 0.602438280588388 0.419518135985727 0 1 1 1 0 +"330" 4865 5728 5730 1 97.0078048706055 97278.390625 11.9398355605366 8.6140261055001 0 1 1 1 0 +"1083" 3787 4468 4472 1 216.042861938477 4198.9912109375 1.85303155151104 2.52460519611162 0 1 1 1 0 +"1833" 4939 5812 5816 1 281.141357421875 2293.51245117188 0.57222046998912 2.04199299508556 1 1 1 1 1 +"330" 4858 5721 5722 1 92.9484024047852 6043.70068359375 0.817399182528108 0.579309501397363 0 1 1 1 0 +"336" 3294 3894 3897 1 97.0078887939453 11340.1904296875 2.49413575452415 2.13236327407929 0 1 1 1 0 +"4571" 5269 6197 6201 1 717.169494628906 59825.4609375 20.1495038460381 28.6504112553465 1 1 1 1 1 +"4641" 5113 6015 6019 1 227.087112426758 8531.8251953125 0.528594195173394 0.486138103360879 0 1 1 1 0 +"242" 3676 4342 4343 1 72.0811233520508 5077.1318359375 0.710154809883737 0.301241615501199 1 1 1 1 1 +"766" 847 1038 1042 1 96.8576965332031 1058.64172363281 0.508453178696777 2.58571698682785 0 1 1 1 0 +"4214" 502 639 640 1 226.078857421875 7711.71240234375 0.467885046223298 0.43224455586855 1 1 1 1 1 +"2250" 3092 3656 3661 1 327.381042480469 6905.0849609375 3.12966614766023 2.96107920936834 1 1 1 1 1 +"4387" 2579 3061 3063 1 369.158874511719 868.532348632812 0.404125432055346 1.13559049645402 1 1 1 1 1 +"318" 4309 5077 5081 1 94.9437026977539 141995.125 32.9684114055193 25.5094543169721 0 1 1 1 0 +"2641" 435 555 561 1 402.014862060547 2692.41284179688 0.79039358552733 2.86237080438429 0 1 1 1 0 +"4223" 3550 4195 4196 1 179.025161743164 15323.787109375 1.09404788971865 1.04928231347745 1 1 1 1 1 +"225" 4336 5112 5113 1 114.06640625 6872.36083984375 1.2423436987353 0.643255123081486 1 1 1 1 1 +"1806" 2049 2438 2444 1 68.5771408081055 2386.72900390625 0.802877040353021 2.43122207737524 0 1 1 1 0 +"2724" 228 317 320 1 165.070343017578 7725.77880859375 2.22605986688151 6.63260168896985 0 1 1 1 0 +"2224" 1680 2011 2014 1 151.224853515625 1235.46301269531 0.40415601826269 0.343013110269662 1 1 1 1 1 +"4538" 1654 1983 1984 1 716.166931152344 176301.0625 44.5358160878879 53.1682741798695 1 1 1 1 1 +"82" 3413 4034 4036 1 217.430572509766 1154.63012695312 0.434343933896284 0.816400140849832 0 1 1 1 0 +"2639" 1304 1570 1575 1 58.4849700927734 1213.39111328125 0.422313028523262 1.16641992948042 0 1 1 1 0 +"3155" 134 205 210 1 385.560882568359 9410.9365234375 1.50965306353995 12.2249686231524 0 1 1 1 0 +"315" 2777 3292 3294 1 93.9461212158203 16650.0625 4.33477793820233 3.22412829804001 0 1 1 1 0 +"3848" 5031 5917 5923 1 83.0853805541992 1350.77014160156 0.708172089997781 1.01172521413759 1 1 1 1 1 +"4226" 1780 2130 2131 1 105.206031799316 2621.99536132812 0.349397658955754 0.559835318305481 1 1 1 1 1 +"4098" 5187 6099 6105 1 203.070602416992 16351.875 11.3776850040337 5.43848132440937 1 1 1 1 1 +"4055" 2329 2767 2771 1 635.147705078125 20781.677734375 7.44348079449652 6.75680108834077 1 1 1 1 1 +"336" 3394 4013 4014 1 95.9502334594727 2751.6328125 0.351269639121931 0.19706102572242 0 1 1 1 0 +"4386" 4138 4881 4882 1 107.085144042969 1427.92419433594 0.343580688726612 0.7677387153631 1 1 1 1 1 +"4374" 753 926 932 1 119.305648803711 1070.97802734375 0.608378570187082 1.97105765643096 1 1 1 1 1 +"652" 390 506 509 1 121.088684082031 1218.74072265625 0.356798199241791 0.402248556896532 0 1 1 1 0 +"343" 3016 3572 3573 1 118.086463928223 654341.75 61.2630133374148 42.3371179598732 0 1 1 1 0 +"748" 2981 3530 3532 1 130.077789306641 2215.85131835938 1.05446154957904 4.05424194276698 1 1 1 1 1 +"340" 246 338 341 1 87.7604141235352 8297.306640625 0.22510726879022 0.18185459053819 0 1 1 1 0 +"2248" 1343 1619 1621 1 154.073593139648 9190.6591796875 3.03763673825156 2.62580860944175 1 1 1 1 1 +"4214" 569 716 718 1 184.083374023438 8792.671875 1.36853565844307 2.07721053855149 1 1 1 1 1 +"4401" 1889 2256 2258 1 241.101989746094 12794.1630859375 0.768018193883629 1.06127891736144 1 1 1 1 1 +"2763" 86 149 154 1 675.064331054688 3719.43603515625 0.625870853564154 1.1869312568959 0 1 1 1 0 +"4224" 4613 5434 5436 1 193.099319458008 3994.74658203125 1.0486429887893 1.89168163874358 1 1 1 1 1 +"4392" 3311 3915 3917 1 215.025527954102 1311.42663574219 0.608673179225217 1.6226906489289 1 1 1 1 1 +"4829" 1963 2340 2344 1 233.037155151367 12158.900390625 3.87498098606075 2.53986979313712 1 1 1 1 1 +"91" 3623 4279 4281 1 109.084602355957 3291.47241210938 1.06412138582418 2.33499136048394 0 1 1 1 0 +"334" 5336 6274 6279 1 101.023468017578 3732.8173828125 1 0.76677174592639 0 1 1 1 0 +"4378" 4426 5217 5218 1 696.189147949219 7852.546875 2.21991890029507 4.22096115993094 1 1 1 1 1 +"4229" 2236 2662 2663 1 155.085311889648 10562.40625 1.46948438995239 2.78953689892684 1 1 1 1 1 +"312" 2693 3194 3196 1 149.949630737305 3501.71801757812 0.933338595536944 0.669520791162766 0 1 1 1 0 +"98" 4668 5497 5500 1 124.968696594238 1590.22778320312 0.686917797947717 0.283959961256289 0 1 1 1 0 +"1095" 4260 5021 5024 1 92.9621963500977 1032.81286621094 0.365044633041567 0.110629846518632 1 1 1 1 1 +"4219" 3409 4027 4031 1 208.085113525391 1204.26733398438 0.573074814424022 1.95189840546945 1 1 1 1 1 +"2758" 325 429 433 1 354.925048828125 5085.6513671875 1.26238911734146 5.68978918188727 0 1 1 1 0 +"2228" 2144 2550 2555 1 74.6556396484375 1228.9248046875 0.605699063705136 0.349015686343074 1 1 1 1 1 +"4199" 1510 1815 1816 1 193.100570678711 28862.6171875 1.15627840049952 1.18249008919596 1 1 1 1 1 +"3322" 2130 2536 2539 1 422.220642089844 1305.94116210938 0.767143481610533 8.89503445778542 1 1 1 1 1 +"84" 3516 4153 4156 1 64.9365310668945 1931.95300292969 0.797705445495649 0.315590318913807 0 1 1 1 0 +"72" 2538 3012 3015 1 140.979797363281 3668.94262695312 1.14112329501491 0.596437656093104 0 1 1 1 0 +"318" 4301 5070 5072 1 134.433807373047 4295.11669921875 0.444695097888643 0.316653363412896 0 1 1 1 0 +"330" 4750 5595 5596 1 135.96989440918 19751.728515625 3.29100210819508 1.82328416425891 0 1 1 1 0 +"234" 4048 4776 4777 1 90.9478378295898 459972.4375 81.6535020588823 33.185598967866 1 1 1 1 1 +"4192" 3772 4454 4455 1 329.085235595703 3868.19848632812 0.879389408136344 1.18635822797312 1 1 1 1 1 +"3069" 2307 2739 2745 1 233.001235961914 1442.4326171875 0.563237961156608 3.43594041722089 0 1 1 1 0 +"4202" 2674 3173 3174 1 117.070289611816 43912.19921875 2.90486502525052 2.80484130062492 1 1 1 1 1 +"4392" 3311 3915 3917 1 368.113494873047 38137.953125 17.7009895521899 47.1899061819821 1 1 1 1 1 +"349" 91 156 160 1 115.95565032959 39592.58203125 0.461686455179245 0.409100619389505 0 1 1 1 0 +"52" 1989 2368 2374 1 100.948745727539 2492.37084960938 0.822072421925977 0.200827856497485 1 1 1 1 1 +"4207" 1030 1255 1256 1 463.618469238281 2752.3388671875 0.338369242008453 0.652554549063446 1 1 1 1 1 +"2223" 2480 2942 2947 1 168.057174682617 23072.60546875 8.19571179728383 6.67621038538771 1 1 1 1 1 +"3049" 572 716 721 1 445.120819091797 3073.92504882812 1.46108542607904 6.89321686888409 0 1 1 1 0 +"337" 4018 4741 4742 1 74.9377059936523 23252.251953125 3.11735744180969 1.61441109101489 0 1 1 1 0 +"4202" 2687 3187 3189 1 234.040252685547 24824.826171875 4.39845592366634 6.80053330713774 1 1 1 1 1 +"4392" 3299 3901 3903 1 193.101119995117 2811.09497070312 0.732796039497973 1.37250339387573 1 1 1 1 1 +"727" 3443 4069 4071 1 146.060363769531 22011.44921875 10.073446333996 51.8489316182889 1 1 1 1 1 +"2243" 3631 4286 4290 1 168.057250976562 17574.943359375 8.14313102944699 6.79445642935062 1 1 1 1 1 +"4880" 5311 6246 6250 1 133.074310302734 3684.52197265625 0.575857494996953 0.362435518484366 1 1 1 1 1 +"3038" 1382 1661 1666 1 392.566589355469 3567.3544921875 1.36774687420977 5.29510999884733 0 1 1 1 0 +"2432" 4221 4972 4978 1 55.0546112060547 1303.75415039062 0.991159300561694 3.1994773497453 1 1 1 1 1 +"4557" 1349 1626 1628 1 112.016784667969 1039.88256835938 0.728912435885413 0.549587584185747 1 1 1 1 1 +"4404" 3691 4356 4360 1 90.3716354370117 1131.80102539062 0.524935428459489 1.52725847777155 1 1 1 1 1 +"74" 4389 5168 5174 1 91.0543212890625 32308.54296875 13.8989073876292 35.3491981433586 0 1 1 1 0 +"4411" 4294 5063 5064 1 77.1284103393555 8312.513671875 0.889096562600829 0.998703180421365 1 1 1 1 1 +"4402" 3461 4090 4092 1 194.104568481445 1932.56555175781 0.426176766005045 0.926255651012518 1 1 1 1 1 +"4553" 3049 3607 3611 1 716.1669921875 133302.078125 55.2714715936756 57.825906689534 1 1 1 1 1 +"337" 4025 4748 4750 1 92.9483032226562 242881.765625 26.8404692893556 17.3912408676153 0 1 1 1 0 +"4213" 2471 2935 2937 1 77.0389099121094 1255.8349609375 0.560584518804467 1.60935523620788 1 1 1 1 1 +"4547" 3958 4671 4672 1 59.9832420349121 1434.40637207031 0.722493142002022 0.726440041421212 1 1 1 1 1 +"331" 4536 5343 5346 1 70.0653762817383 5100.74365234375 0.621456961569197 0.467180534815675 0 1 1 1 0 +"4373" 1655 1983 1985 1 329.084686279297 3462.88916015625 1.42389377892474 3.53108939312079 1 1 1 1 1 +"3043" 2175 2585 2591 1 327.078918457031 5375.42236328125 2.35900644090155 9.3889708388243 0 1 1 1 0 +"4404" 3659 4321 4323 1 234.039825439453 10032.953125 2.36608337404435 5.14690228316944 1 1 1 1 1 +"724" 3318 3922 3925 1 58.0654563903809 2216.17602539062 0.939652833510534 4.28618089260188 1 1 1 1 1 +"3049" 583 730 734 1 258.989990234375 6268.6357421875 1.89650025774077 6.28451395948827 0 1 1 1 0 +"4227" 5214 6134 6137 1 339.080047607422 4273.3857421875 1.55635308552248 3.79001966261072 1 1 1 1 1 +"4412" 5111 6015 6017 1 154.073608398438 51702.28125 1.5359608525511 4.22877015388834 1 1 1 1 1 +"2907" 1749 2088 2094 1 383.203430175781 1400.66821289062 1.01989027419541 62.2582977249406 1 1 1 1 1 +"4214" 80 145 147 1 123.080863952637 9835.4091796875 2.54520759706431 1.05087873122891 1 1 1 1 1 +"2359" 5290 6225 6226 1 339.080383300781 4230.765625 0.821042338847516 3.074710506369 1 1 1 1 1 +"236" 856 1052 1053 1 72.9372940063477 5243874 311.0502288247 100 1 1 1 1 1 +"3058" 2223 2641 2647 1 414.593719482422 1221.15698242188 0.555502290345421 2.31226598394989 0 1 1 1 0 +"4407" 5188 6106 6107 1 155.085342407227 22734.953125 1.50468818344061 2.35131699814491 1 1 1 1 1 +"56" 846 1038 1041 1 124.015197753906 7771.07666015625 2.482777324639 0.637572854412319 1 1 1 1 1 +"333" 1624 1948 1949 1 118.967895507812 24799.634765625 2.68645819029966 1.58349683172257 0 1 1 1 0 +"98" 4551 5357 5363 1 108.044609069824 18564.51953125 7.52840102393412 18.1023978420876 0 1 1 1 0 +"239" 1481 1780 1782 1 110.959175109863 12901.46484375 1.08535356802869 0.438597197146688 1 1 1 1 1 +"3622" 4928 5798 5803 1 354.886322021484 1628.03527832031 0.942349888438832 1.39991967904468 1 1 1 1 1 +"4222" 3032 3586 3591 1 341.08447265625 2514.06689453125 1.1054487829092 3.02753122288998 1 1 1 1 1 +"3141" 5450 6407 6412 1 67.3533706665039 1985.98974609375 1.10630075999057 6.45356182115384 0 1 1 1 0 +"2605" 1830 2186 2189 1 645.099182128906 1586.57629394531 0.533464103644097 1.63237630966556 0 1 1 1 0 +"2467" 5165 6078 6080 1 333.283111572266 6665.97021484375 2.68840888512192 2.83199332033357 0 1 1 1 0 +"21" 1819 2172 2176 1 62.9440002441406 1597.80065917969 0.363657592422025 0.121664067182453 1 1 1 1 1 +"312" 2668 3166 3167 1 78.9925689697266 6095.60693359375 0.616337395247156 0.416379463476842 0 1 1 1 0 +"4233" 4937 5812 5814 1 117.070182800293 72012.015625 1.98860925860724 2.52159113251849 1 1 1 1 1 +"84" 3516 4153 4156 1 133.960037231445 2017.33337402344 0.832959091343473 0.329537458674243 0 1 1 1 0 +"884" 1556 1864 1869 1 156.011184692383 3355.38452148438 1.06710018958896 0.580412170217608 1 1 1 1 1 +"4414" 2770 3285 3286 1 71.5215911865234 1866.9482421875 0.410543978744325 0.766703033581405 1 1 1 1 1 +"330" 4794 5644 5647 1 114.971237182617 20405.7734375 5.57195377324957 3.62032970718999 0 1 1 1 0 +"22" 4422 5210 5213 1 140.979888916016 4035.18334960938 0.998381476716977 0.352216427344315 1 1 1 1 1 +"44" 3190 3775 3776 1 106.065284729004 5238.1220703125 1.38108468007021 0.401920785953395 1 1 1 1 1 +"4641" 5106 6008 6011 1 374.553100585938 10375.6669921875 0.479558009902615 0.626975637047497 0 1 1 1 0 +"4229" 2364 2809 2812 1 367.110076904297 339297.1875 63.1538927566311 78.3030590631335 1 1 1 1 1 +"3034" 2420 2872 2877 1 57.9351463317871 1374.1162109375 0.569062519652463 2.72684247301984 0 1 1 1 0 +"4103" 5381 6330 6332 1 55.1388854980469 4162.822265625 0.999886236091776 2.70757482983691 1 1 1 1 1 +"4557" 1324 1598 1599 1 79.5703735351562 8281.3544921875 2.3426704123597 2.20258967876175 1 1 1 1 1 +"2763" 86 149 154 1 140.984100341797 5511.1865234375 0.927369359486831 1.75870736461707 0 1 1 1 0 +"4860" 4971 5847 5853 1 182.073806762695 2737.09326171875 1.08305234139767 1.24127651346457 1 1 1 1 1 +"98" 4795 5644 5648 1 52.8099327087402 1122.62316894531 0.375813033064169 0.20875283520708 1 1 1 1 1 +"3921" 5294 6225 6230 1 243.000671386719 3554.53051757812 1.04148453294974 4.61254349161646 1 1 1 1 1 +"3815" 5322 6260 6263 1 597.075988769531 3384.84692382812 0.879331685915644 0.715040982127986 1 1 1 1 1 +"709" 99 163 169 1 90.9479675292969 9231.7578125 2.1979075131459 11.0808484222194 0 1 1 1 0 +"3249" 5408 6358 6363 1 258.230407714844 3031.38232421875 1.34321640417971 5.97294692567908 1 1 1 1 1 +"313" 1562 1871 1876 1 76.9331436157227 264539.09375 58.2156286963937 47.7984996967299 0 1 1 1 0 +"749" 4727 5567 5569 1 99.0918502807617 6254.29052734375 3.42852871607843 17.2598215933512 1 1 1 1 1 +"4996" 5134 6043 6044 1 157.770980834961 4336.15087890625 0.390072159359125 0.280663372885874 1 1 1 1 1 +"488" 5566 6632 6633 1 125.07145690918 3167.58911132812 1.04311954243242 2.61297816706259 1 1 1 1 1 +"225" 4300 5070 5071 1 174.021728515625 2681.07202148438 0.550533959242322 0.258604676339586 1 1 1 1 1 +"2758" 325 429 433 1 403.570373535156 8843.328125 2.19514087381368 9.89385018055827 0 1 1 1 0 +"4373" 1564 1878 1879 1 77.1281661987305 17283.943359375 1 1.31832730834842 1 1 1 1 1 +"2634" 1137 1374 1380 1 177.460159301758 1077.43225097656 0.443158771223114 2.25868773037971 0 1 1 1 0 +"760" 4578 5392 5395 1 209.187118530273 1112.25427246094 0.728430287093048 2.36347829921456 1 1 1 1 1 +"3061" 1004 1220 1225 1 396.569946289062 2282.50244140625 0.772399809699328 2.7064495849269 0 1 1 1 0 +"335" 449 576 578 1 77.9407806396484 4203.9951171875 0.665504490684479 0.589094899397724 0 1 1 1 0 +"3271" 1508 1808 1813 1 246.009017944336 1630.80773925781 0.468725938002576 0.861423324479616 1 1 1 1 1 +"4203" 2880 3411 3414 1 255.111740112305 5614.3681640625 0.907016253635823 1.48351685952162 1 1 1 1 1 +"356" 4429 5217 5221 1 64.8831939697266 1264.98352050781 0.320075019795535 0.232491345249034 0 1 1 1 0 +"4215" 4109 4846 4848 1 183.116943359375 6712.86767578125 1.4133987534537 2.207794564097 1 1 1 1 1 +"2724" 183 261 267 1 215.047332763672 6043.49951171875 1.1798054978912 4.04256796431021 0 1 1 1 0 +"2061" 2613 3096 3102 1 229.049621582031 14762.166015625 6.38241064972342 2.28454856995341 1 1 1 1 1 +"4213" 2488 2956 2957 1 252.092010498047 3514.3740234375 0.499004547549598 0.737046491157013 1 1 1 1 1 +"4103" 5331 6267 6273 1 150.026947021484 1553.0869140625 0.528798864969774 0.737877248066087 1 1 1 1 1 +"3375" 81 145 148 1 430.471710205078 6573.6474609375 0.958227364466377 0.165605376566804 1 1 1 1 1 +"3908" 4989 5868 5874 1 191.086090087891 4724.9404296875 1.17512605139984 0.833652814677856 1 1 1 1 1 +"336" 3239 3831 3833 1 120.08097076416 7148.525390625 2.03533430371986 1.3754716907956 0 1 1 1 0 +"4199" 1468 1766 1767 1 227.199005126953 9452.380859375 0.521833271279885 0.581944747143667 1 1 1 1 1 +"4384" 154 233 234 1 340.083953857422 9727.3623046875 2.32755111399565 4.79109604722824 1 1 1 1 1 +"4199" 1495 1794 1798 1 183.081069946289 17122.0078125 2.32263964262774 3.35794839340975 1 1 1 1 1 +"18" 4128 4867 4870 1 122.019386291504 39069.171875 8.62974843617913 3.1941720351955 1 1 1 1 1 +"3500" 5215 6134 6138 1 151.097045898438 2735.57275390625 1.49763700837113 5.2297121684162 1 1 1 1 1 +"2238" 1933 2305 2309 1 161.215347290039 1768.10546875 0.628505651045265 0.455785498755921 1 1 1 1 1 +"3155" 123 191 197 1 403.570709228516 8798.416015625 1.77231257445328 7.7551261633062 0 1 1 1 0 +"3049" 405 520 526 1 280.482360839844 1592.06042480469 0.448260377743955 1.47178734294024 0 1 1 1 0 +"4406" 2848 3376 3377 1 695.187805175781 68375.140625 11.9557524005244 24.3200352217409 1 1 1 1 1 +"2724" 229 317 321 1 323.978607177734 2390.78076171875 0.537586201974754 1.83878188696723 0 1 1 1 0 +"4219" 3406 4027 4028 1 107.048973083496 18212.091796875 1.3850524965348 1.18431167534761 1 1 1 1 1 +"4402" 3490 4125 4126 1 183.117599487305 22981.84375 2.29941200052802 2.53820409270522 1 1 1 1 1 +"2335" 3067 3628 3632 1 323.105651855469 70643.40625 10.3146640027394 3.74270197708871 1 1 1 1 1 +"4199" 1452 1745 1748 1 77.2395172119141 4060.9794921875 0.594665937165465 0.751218723437366 1 1 1 1 1 +"4227" 5382 6330 6333 1 67.2040634155273 8252.4501953125 3.66154103462851 6.91253020143847 1 1 1 1 1 +"603" 205 289 293 1 71.0496063232422 1844.66748046875 0.336601372848345 0.707418633091301 1 1 1 1 1 +"2060" 2331 2767 2773 1 304.299530029297 11271.251953125 2.96288855502295 1.08921532812108 1 1 1 1 1 +"4387" 2572 3054 3055 1 154.073837280273 7595.21923828125 1.43276838416703 3.30694186201005 1 1 1 1 1 +"3998" 5219 6141 6143 1 227.041381835938 2463.49877929688 0.862000444220436 2.79328119506445 0 1 1 1 0 +"3351" 4992 5875 5878 1 316.429595947266 1481.24194335938 0.656811517387705 0.413869146502878 1 1 1 1 1 +"204" 3280 3880 3881 1 70.0654449462891 5755.61474609375 0.809627406516789 0.215993876489983 1 1 1 1 1 +"4227" 5382 6330 6333 1 329.084808349609 8313.697265625 3.68871583191809 6.96383281015039 1 1 1 1 1 +"835" 5555 6611 6612 1 149.096313476562 3943.06201171875 2.28580660316324 0.988825376706717 0 1 1 1 0 +"1876" 4957 5833 5837 1 170.15380859375 1269.26831054688 0.539764821430611 2.58714297395808 1 1 1 1 1 +"4392" 3299 3901 3903 1 184.866348266602 1624.22912597656 0.423403934465855 0.79302194022888 1 1 1 1 1 +"4400" 4172 4916 4921 1 234.040374755859 3477.39428710938 1.65472403940484 6.04193236609071 1 1 1 1 1 +"4202" 2674 3173 3174 1 177.070098876953 6646.94189453125 0.439706263357718 0.424565780815521 1 1 1 1 1 +"328" 232 324 325 1 86.5621871948242 8178.234375 0.300693808362683 0.157714109136077 0 1 1 1 0 +"227" 2717 3222 3224 1 72.9372940063477 2862759 294.962636046401 100 1 1 1 1 1 +"4216" 1240 1500 1501 1 291.077728271484 14654.912109375 1.52611276163559 2.9320929520806 1 1 1 1 1 +"336" 3488 4118 4123 1 86.0964889526367 1593.52490234375 0.417679235011737 0.298192260332418 0 1 1 1 0 +"4215" 4096 4832 4833 1 328.08154296875 20977.625 1.97773503541283 2.00878067248985 1 1 1 1 1 +"49" 5147 6057 6059 1 97.3804016113281 4307.17626953125 0.861988306950846 0.358811154057662 1 1 1 1 1 +"3479" 2449 2907 2911 1 324.06201171875 4561.7001953125 1.20823955893593 3.1971630114058 1 1 1 1 1 +"745" 2618 3103 3108 1 88.0758209228516 2626.31591796875 1.16144787145699 7.44693450235929 1 1 1 1 1 +"348" 2873 3404 3406 1 86.0964813232422 1984.19494628906 0.398576025614757 0.366181622965316 0 1 1 1 0 +"4233" 4997 5882 5884 1 152.062377929688 47632 5.52471069135159 7.67993834379361 1 1 1 1 1 +"3064" 878 1073 1078 1 67.7862243652344 2411.24584960938 0.924982959420851 2.4772291709808 0 1 1 1 0 +"352" 2562 3040 3043 1 119.085006713867 117992.421875 10.2990919438304 8.00822129799377 0 1 1 1 0 +"1545" 373 485 489 1 236.878570556641 2531.1962890625 1.25568662008933 0.696020040732644 1 1 1 1 1 +"761" 4193 4944 4946 1 147.044921875 1966.51293945312 1.07034444726819 4.42584550470056 1 1 1 1 1 +"4192" 3844 4538 4539 1 253.100662231445 22764.52734375 1.89003016151002 1.69885308944043 1 1 1 1 1 +"234" 4048 4776 4777 1 65.5857925415039 3250.18139648438 0.576966513019767 0.234490607704183 1 1 1 1 1 +"4200" 1942 2319 2320 1 180.085037231445 6458.43017578125 0.859320680805658 1.37698619924061 1 1 1 1 1 +"4209" 1403 1689 1691 1 340.082641601562 2609.8291015625 1.09331029544618 3.26539998686247 1 1 1 1 1 +"2244" 2849 3376 3378 1 309.069885253906 2522.3798828125 1.25246340416661 0.834275689255956 1 1 1 1 1 +"2658" 4899 5763 5769 1 275.03564453125 20421.294921875 6.63858294672709 16.616938926692 0 1 1 1 0 +"836" 5610 6697 6699 1 150.038284301758 1218.05969238281 0.696942064625417 0.360863405565279 0 1 1 1 0 +"202" 4264 5028 5029 1 72.0809555053711 4270.48193359375 0.699928378150242 0.36065034586487 1 1 1 1 1 +"93" 2753 3264 3266 1 80.0495834350586 12195.943359375 5.46543318582212 2.05229728400853 0 1 1 1 0 +"323" 701 870 872 1 114.971031188965 46611.65234375 9.78402113194475 7.74392174675649 0 1 1 1 0 +"4197" 3323 3929 3931 1 644.640014648438 1499.60168457031 0.73555417170082 2.27932327471146 1 1 1 1 1 +"2763" 87 149 155 1 119.04931640625 31929.38671875 4.31941000974836 9.86929305831771 0 1 1 1 0 +"3318" 5204 6120 6125 1 52.5196723937988 916.077026367188 0.620665536465047 4.93722291825265 1 1 1 1 1 +"2242" 2729 3236 3238 1 175.015640258789 8010.90380859375 3.04269643562797 2.58672003403163 1 1 1 1 1 +"3071" 625 779 783 1 251.047744750977 3029.22265625 0.84331476223725 3.37596219456589 0 1 1 1 0 +"1477" 3999 4713 4719 1 100.112297058105 38600.609375 21.4820257233067 46.1996031093353 0 1 1 1 0 +"4103" 5453 6414 6416 1 55.1386871337891 4375.3759765625 0.508147928204868 1.00693909304303 1 1 1 1 1 +"330" 4786 5637 5638 1 134.972732543945 96769.4921875 14.1457305477925 7.18355784234543 0 1 1 1 0 +"139" 5493 6515 6516 1 53.0024909973145 4440.99267578125 2.25341344894797 11.7982941523267 1 1 1 1 1 +"4373" 1451 1745 1747 1 212.115905761719 10935.3916015625 1.73958421203158 3.77976089213075 1 1 1 1 1 +"237" 1732 2074 2075 1 90.9478225708008 742144.375 59.1596613535349 24.1111807899863 1 1 1 1 1 +"4380" 4762 5609 5610 1 65.0387115478516 3446.46728515625 0.488073046470753 0.446976855552332 1 1 1 1 1 +"4230" 2802 3320 3323 1 165.069931030273 20942.140625 3.88602639330132 5.24877354728128 1 1 1 1 1 +"4224" 4577 5392 5394 1 179.097457885742 1971.66870117188 0.499401623732172 0.812213760437266 1 1 1 1 1 +"355" 5207 6127 6129 1 93.9461975097656 18596.43359375 4.34093289690154 3.6480903592924 0 1 1 1 0 +"4215" 4109 4846 4848 1 161.115798950195 2037.16247558594 0.428925914026859 0.670002219171939 1 1 1 1 1 +"235" 4768 5616 5617 1 100.943534851074 6394.72021484375 1.30407408546989 0.834770967542045 1 1 1 1 1 +"4191" 4829 5686 5688 1 183.080917358398 11756.5439453125 2.97297168482211 4.59074485596532 1 1 1 1 1 +"343" 3005 3558 3560 1 119.061050415039 5491.072265625 0.520903892518592 0.367369676970996 0 1 1 1 0 +"4194" 2590 3075 3076 1 191.085830688477 18109.15234375 0.809966802483952 1.05375445782712 1 1 1 1 1 +"4373" 1613 1934 1936 1 79.4641647338867 3514.28051757812 1.70546884154481 2.9368372776437 1 1 1 1 1 +"72" 2538 3012 3015 1 97.7981033325195 1227.52014160156 0.381786245004545 0.199550472848881 0 1 1 1 0 +"743" 384 499 502 1 115.954689025879 4402.60595703125 1.22046091312815 11.5890550413397 0 1 1 1 0 +"328" 177 254 260 1 68.5754165649414 2699.32080078125 0.348666203519894 0.223326400608862 0 1 1 1 0 +"4222" 2986 3537 3538 1 102.047172546387 5021.6455078125 0.357154763904106 0.325818001243315 1 1 1 1 1 +"3707" 2335 2774 2778 1 315.965393066406 1593.0703125 0.430244054702023 1.04913184343814 1 1 1 1 1 +"313" 1514 1815 1820 1 101.753753662109 1446.04809570312 0.332556396904487 0.255214927053383 0 1 1 1 0 +"2641" 410 527 532 1 232.002792358398 5337.21142578125 1.00894011438694 4.32532934776243 0 1 1 1 0 +"4400" 4186 4937 4938 1 245.036819458008 7910.14453125 0.651670761605529 0.831406902521949 1 1 1 1 1 +"1634" 4214 4965 4970 1 135.555969238281 1015.66619873047 0.625605560866471 0.153829893565273 1 1 1 1 1 +"4204" 5089 5987 5991 1 187.030685424805 237085.953125 0.426287006842561 0.35907729255886 0 1 1 1 0 +"4216" 1278 1542 1545 1 696.190673828125 21663.34375 8.20640207719422 26.3990232894141 1 1 1 1 1 +"309" 2483 2949 2951 1 96.9603576660156 4100.37158203125 1.14174635549665 0.772528290254261 0 1 1 1 0 +"41" 3304 3908 3909 1 105.033561706543 3777.02294921875 1 0.279988743380701 1 1 1 1 1 +"214" 940 1150 1151 1 97.3797988891602 34800.3046875 2.07591585400209 0.896379436347121 1 1 1 1 1 +"4536" 2406 2858 2861 1 716.166931152344 146286.59375 60.1821382084232 50.0485124609401 1 1 1 1 1 +"2767" 613 765 769 1 77.0386505126953 5317.31298828125 2.08596650954989 7.22478412406549 0 1 1 1 0 +"78" 2925 3460 3466 1 66.9268112182617 2634.361328125 0.819915764889393 0.386514004763454 0 1 1 1 0 +"337" 4010 4727 4732 1 112.954345703125 17773.9921875 3.92946994292191 3.29454655594942 0 1 1 1 0 +"1520" 4886 5749 5754 1 91.8686828613281 1130.20678710938 0.404392833816069 0.346331877755916 1 1 1 1 1 +"4229" 2194 2613 2614 1 216.028823852539 7508.4423828125 0.917934600736125 1.601804138488 1 1 1 1 1 +"315" 2749 3257 3261 1 92.0495452880859 5709.31982421875 1.35816532077743 1.08390627682724 0 1 1 1 0 +"333" 1597 1913 1917 1 117.95295715332 1264.57885742188 0.349373517905332 0.245444874377169 0 1 1 1 0 +"350" 4198 4951 4952 1 103.054473876953 7141.0283203125 0.902797074544641 0.652877975712597 0 1 1 1 0 +"4414" 2793 3306 3312 1 211.112396240234 3686.25830078125 1.66104664466447 4.81213317434347 1 1 1 1 1 +"752" 4386 5168 5171 1 147.080825805664 4099.0712890625 2.32901002415874 10.4367246084521 1 1 1 1 1 +"4208" 4204 4958 4959 1 355.009796142578 6160.78857421875 0.703791247132217 0.604749517753133 1 1 1 1 1 +"765" 3682 4349 4350 1 93.7355117797852 1209.79125976562 0.477885209876098 2.41242816226254 1 1 1 1 1 +"1037" 104 170 175 1 167.070236206055 7031.1455078125 0.953047042571656 1.62453784821493 0 1 1 1 0 +"1634" 4255 5014 5018 1 80.9736175537109 2226.63940429688 0.970308314393293 0.432695892199956 1 1 1 1 1 +"336" 3258 3852 3855 1 92.9542999267578 8707.4990234375 0.858477612759396 0.659629783334413 0 1 1 1 0 +"4373" 1618 1941 1942 1 254.10661315918 6729.326171875 0.778264570627586 1.82880030203365 1 1 1 1 1 +"3061" 1004 1220 1225 1 445.121063232422 4184.85791015625 1.41615772004692 4.9621445079123 0 1 1 1 0 +"488" 5591 6673 6674 1 125.090339660645 142455.46875 5.23995594647195 9.58167335701755 1 1 1 1 1 +"3171" 5120 6022 6027 1 383.999237060547 12249.732421875 0.790071412199727 5.49458186650257 0 1 1 1 0 +"4381" 412 534 535 1 67.8235931396484 24434.12890625 1.88199559372953 3.99880308312408 1 1 1 1 1 +"324" 4942 5819 5820 1 115.054794311523 12307.3603515625 2.73582836622398 1.28758458451746 0 1 1 1 0 +"4194" 2602 3089 3090 1 369.116790771484 51110.0625 8.05270747413401 14.6586524815004 1 1 1 1 1 +"4412" 5104 6008 6009 1 97.3775787353516 393694.21875 2.7534360128007 6.45915131789048 1 1 1 1 1 +"4404" 3659 4321 4323 1 240.092407226562 2767.7216796875 0.652715124719641 1.41984048513744 1 1 1 1 1 +"196" 1978 2361 2362 1 131.974472045898 96148.3359375 6.78138372650089 3.28984726452934 1 1 1 1 1 +"317" 1792 2144 2145 1 117.95955657959 68995.1328125 5.56412733863741 5.03461324145611 0 1 1 1 0 +"3738" 5059 5952 5956 1 95.0547637939453 1709.01403808594 0.876929250012386 3.508927107014 1 1 1 1 1 +"4404" 3659 4321 4323 1 242.307708740234 2081.49780273438 0.490882124415352 1.06780781887743 1 1 1 1 1 +"4395" 1991 2375 2377 1 155.086059570312 12063.353515625 1.63638088150338 3.13884378136589 1 1 1 1 1 +"314" 2400 2851 2854 1 59.0687446594238 2939.25512695312 0.750760336355805 0.55691442886706 0 1 1 1 0 +"2060" 2323 2760 2764 1 131.049514770508 8959.2451171875 1.5314381378094 0.358643306072711 1 1 1 1 1 +"2218" 1511 1815 1817 1 202.077911376953 2127.8291015625 0.737641529387002 0.55707773853238 1 1 1 1 1 +"345" 2231 2655 2657 1 149.949768066406 2546.07958984375 0.757000110515024 0.370862068380837 0 1 1 1 0 +"1864" 5013 5896 5902 1 74.0600662231445 1477.38439941406 0.57906638640441 2.65359043112993 1 1 1 1 1 +"344" 4342 5119 5120 1 59.0732460021973 145680.8125 17.4838295369085 11.3371804018381 0 1 1 1 0 +"4373" 1684 2018 2019 1 187.015975952148 10291.0556640625 0.592331057025217 0.622952140001698 1 1 1 1 1 +"4199" 1487 1787 1789 1 199.231781005859 1306.29992675781 0.483044045209259 1.92123237549235 1 1 1 1 1 +"4996" 5088 5987 5990 1 181.065185546875 54803.08984375 1.07708685039376 0.46830049185656 1 1 1 1 1 +"4233" 5038 5931 5932 1 77.1276321411133 9729.791015625 0.96498779637378 1.28805455360811 1 1 1 1 1 +"748" 2939 3481 3483 1 88.0758666992188 2232.59887695312 1.14536492602389 4.54017051178957 1 1 1 1 1 +"2467" 5165 6078 6080 1 92.0561447143555 9129.10546875 3.68179986774482 3.87844002821226 0 1 1 1 0 +"107" 2967 3509 3515 1 93.0576400756836 2559.22265625 0.952186374836338 0.413689800257261 0 1 1 1 0 +"1095" 4218 4972 4975 1 92.9044494628906 2347.68798828125 0.893591600984406 0.134314527321878 1 1 1 1 1 +"4230" 2802 3320 3323 1 215.025283813477 19272.130859375 3.57613915958928 4.83021542380799 1 1 1 1 1 +"883" 3080 3642 3647 1 153.090957641602 4448.18798828125 1.60180533221294 1.01128076906408 1 1 1 1 1 +"4373" 1336 1612 1613 1 616.334045410156 2802.71166992188 0.382716738778908 1.02916811946698 1 1 1 1 1 +"3998" 5306 6239 6244 1 74.0502853393555 1364.41088867188 0.571678239772271 2.65070246928205 0 1 1 1 0 +"2641" 410 527 532 1 375.552612304688 52070.77734375 9.84339795790084 42.1986770690384 0 1 1 1 0 +"22" 4734 5574 5577 1 59.049388885498 1268.25671386719 0.292518248113529 0.109134973959168 1 1 1 1 1 +"4227" 5350 6295 6296 1 77.0210800170898 34501.5546875 1.39850884696701 1.19358825283592 1 1 1 1 1 +"325" 1134 1374 1377 1 59.06982421875 1897.63403320312 0.408492516313509 0.375457504344167 0 1 1 1 0 +"313" 1542 1850 1853 1 117.070129394531 9575.0556640625 1 0.560315739100807 0 1 1 1 0 +"2060" 2331 2767 2773 1 167.551696777344 1379.40795898438 0.362606751351098 0.133301278234795 1 1 1 1 1 +"4214" 208 296 297 1 229.101425170898 30188.419921875 1.68233386670196 1.3847282906162 1 1 1 1 1 +"348" 2862 3390 3393 1 120.05542755127 6828.1875 1.91900814095798 1.36049804855931 0 1 1 1 0 +"4223" 3658 4321 4322 1 154.073532104492 14511.0302734375 1.06313953273731 1.18567367269743 1 1 1 1 1 +"4203" 2905 3439 3443 1 254.106002807617 1346.21813964844 0.604888740089165 2.06890338771737 1 1 1 1 1 +"2634" 1135 1374 1378 1 119.049331665039 5784.5966796875 1.65027392244975 4.35345024756801 0 1 1 1 0 +"4373" 1396 1682 1683 1 369.11474609375 23674.419921875 1.10403726800006 2.17757463262301 1 1 1 1 1 +"4205" 3088 3656 3657 1 73.7146072387695 2561.15209960938 0.405287293459727 0.799789244038532 1 1 1 1 1 +"329" 744 919 922 1 138.034530639648 3301.7666015625 0.607462388772558 0.608007310886312 0 1 1 1 0 +"4224" 4613 5434 5436 1 181.036010742188 2042.62438964844 0.536200157118776 0.967269130444562 1 1 1 1 1 +"725" 4068 4797 4800 1 232.602325439453 1434.03515625 0.661582169045626 3.33089505811031 1 1 1 1 1 +"2629" 1219 1472 1476 1 374.555389404297 31490.75390625 11.3504669899522 35.9616558674188 0 1 1 1 0 +"325" 1386 1668 1671 1 59.0763053894043 2275.97705078125 0.607387222367044 0.462300007782095 0 1 1 1 0 +"1634" 4255 5014 5018 1 71.4578399658203 1328.23400878906 0.578807911016438 0.258111573151106 1 1 1 1 1 +"242" 3604 4258 4259 1 57.9351272583008 35320.1796875 5.50050670156255 2.19747153240507 1 1 1 1 1 +"4165" 4525 5329 5333 1 107.085762023926 23000.333984375 9.91870711664903 47.924378740019 1 1 1 1 1 +"330" 4873 5735 5739 1 95.9507751464844 1493.12939453125 0.426131720052412 0.295466200293585 0 1 1 1 0 +"343" 2999 3551 3553 1 120.044616699219 6857.20703125 1.53165181182887 1.29334426765967 0 1 1 1 0 +"2763" 131 205 207 1 165.070251464844 9043.4560546875 1.55446296723017 5.71692091230326 0 1 1 1 0 +"4880" 5311 6246 6250 1 226.077896118164 2106.4287109375 0.329215776122961 0.207203156247866 1 1 1 1 1 +"4219" 3409 4027 4031 1 164.922760009766 1090.30200195312 0.518842120684421 1.76718132181776 1 1 1 1 1 +"3053" 1881 2242 2248 1 385.059234619141 17779.267578125 7.27631009817499 25.0716759717267 0 1 1 1 0 +"603" 156 233 236 1 98.942268371582 13405.529296875 1.92666577986807 4.96173805611322 1 1 1 1 1 +"3997" 2322 2760 2763 1 163.038513183594 4269.369140625 0.794622318320484 0.970008729522542 1 1 1 1 1 +"2060" 2323 2760 2764 1 137.059219360352 3905.76977539062 0.667628211227482 0.156350023543579 1 1 1 1 1 +"4411" 4294 5063 5064 1 234.154861450195 4182.37939453125 0.447342319057083 0.502490073150758 1 1 1 1 1 +"325" 1186 1437 1438 1 104.939353942871 10449.6923828125 1.14185648592307 0.557966437214013 0 1 1 1 0 +"3171" 5120 6022 6027 1 280.488739013672 10388.4267578125 0.67002271693883 4.65969862190914 0 1 1 1 0 +"3049" 519 653 659 1 394.064270019531 20409.14453125 9.39535172276135 44.869881627814 0 1 1 1 0 +"354" 913 1115 1119 1 135.969879150391 27707.669921875 4.96423513051463 4.67657067177768 0 1 1 1 0 +"1161" 1488 1787 1790 1 122.058891296387 40171.04296875 6.90015903354172 1.32472421154244 1 1 1 1 1 +"4384" 130 205 206 1 694.063354492188 9296.84765625 0.825523420892403 1.12534642804158 1 1 1 1 1 +"4204" 5081 5980 5982 1 209.090759277344 2321.341796875 0.577382653573511 0.818506523772333 1 1 1 1 1 +"325" 1249 1507 1511 1 58.0654373168945 109109.0390625 19.7127617624034 20.6049101507483 0 1 1 1 0 +"323" 682 849 850 1 104.939270019531 5534.80810546875 0.1988281556413 0.211736261406324 0 1 1 1 0 +"2228" 2144 2550 2555 1 171.080551147461 6396.509765625 3.1526420178369 1.81661419603088 1 1 1 1 1 +"3998" 5306 6239 6244 1 91.0576019287109 51473.55859375 21.5670467129836 100 0 1 1 1 0 +"3908" 4989 5868 5874 1 231.0205078125 7167.4140625 1.78258649211592 1.26459475967615 1 1 1 1 1 +"4411" 4258 5021 5022 1 116.06371307373 5772.57861328125 0.530835756065872 0.69095890647816 1 1 1 1 1 +"4374" 790 975 976 1 198.040542602539 6328.8359375 1.07850330874439 2.43672564444454 1 1 1 1 1 +"357" 3549 4188 4194 1 59.0732460021973 135397.390625 38.1597058293511 25.2291384229924 0 1 1 1 0 +"4229" 2236 2662 2663 1 275.072143554688 3583.09838867188 0.498495042246353 0.946298119113292 1 1 1 1 1 +"50" 637 793 797 1 228.247055053711 1490.67919921875 0.50793900361524 0.128048405946577 1 1 1 1 1 +"326" 2063 2459 2461 1 58.9329643249512 1898.60461425781 0.436729374721031 0.307632823433137 0 1 1 1 0 +"4370" 3346 3957 3958 1 234.039825439453 12241.529296875 1.06989497122326 1.70454196853658 1 1 1 1 1 +"340" 316 422 423 1 133.974563598633 60775.7734375 1.68257657697505 1.02977591899448 0 1 1 1 0 +"4197" 3323 3929 3931 1 216.030502319336 2080.15258789062 1.02031421379446 3.1617330503926 1 1 1 1 1 +"2220" 4861 5721 5725 1 175.015747070312 139406.6875 1.99556200213155 1.23252456399104 0 1 1 1 0 +"4209" 1384 1668 1669 1 166.073684692383 13911.583984375 0.853047114818154 0.798670659529396 1 1 1 1 1 +"2623" 961 1171 1175 1 73.3530807495117 1516.38049316406 0.402130391077671 1.32139278066815 0 1 1 1 0 +"1867" 5334 6274 6277 1 150.13591003418 2171.95971679688 0.428349578942432 0.708550432066376 1 1 1 1 1 +"1867" 5340 6281 6284 1 110.104423522949 7211.84375 1.67922165214283 3.75392994802579 1 1 1 1 1 +"4905" 5345 6288 6290 1 228.093353271484 7860.6572265625 1.86721787931361 1.91628671909199 1 1 1 1 1 +"4408" 2711 3215 3217 1 183.117813110352 1380.35363769531 0.84092486842163 1.54171131159877 1 1 1 1 1 +"320" 2609 3096 3098 1 94.9389190673828 2359.36938476562 0.584015769430219 0.386847226096397 0 1 1 1 0 +"2633" 877 1073 1077 1 402.571685791016 11948.7509765625 3.15476946797923 8.66214404245438 0 1 1 1 0 +"4394" 3983 4699 4701 1 253.101303100586 3134.92919921875 0.827720352123775 1.60315662748124 1 1 1 1 1 +"1875" 5417 6372 6374 1 165.164489746094 4605.41748046875 0.925126769869015 2.68300792567999 1 1 1 1 1 +"4196" 2027 2417 2419 1 180.085144042969 4942.20263671875 0.712425070168192 1.24097955693517 1 1 1 1 1 +"330" 4752 5595 5598 1 76.9331512451172 210840.890625 46.8916612531935 38.6909632236461 0 1 1 1 0 +"763" 987 1199 1205 1 68.5714263916016 1034.50964355469 0.633497091529746 2.47254200580337 0 1 1 1 0 +"3298" 4430 5217 5222 1 354.992309570312 1835.20361328125 1 16.363322027387 1 1 1 1 1 +"1868" 5061 5952 5958 1 299.135467529297 2071.03125 0.781040523546437 3.92917867830802 1 1 1 1 1 +"19" 1651 1976 1980 1 164.013259887695 4714.36279296875 1.22363908621614 0.408159999824138 1 1 1 1 1 +"317" 1834 2193 2194 1 58.9328536987305 28446.013671875 2.66607411865806 1.63183280989287 0 1 1 1 0 +"351" 3614 4265 4270 1 75.9355697631836 22828.029296875 5.8123028089185 4.53237223992574 0 1 1 1 0 +"1479" 4970 5847 5852 1 107.049095153809 3078.46875 1.22001349527926 0.489806207563156 1 1 1 1 1 +"4220" 4816 5672 5673 1 66.9828720092773 11099.1162109375 1.22991099846947 0.982463072684378 1 1 1 1 1 +"884" 1599 1913 1919 1 130.966979980469 6264.0107421875 2.38296911957602 1.24175295305169 1 1 1 1 1 +"80" 4167 4909 4915 1 91.0544128417969 36402.33203125 16.5607850781396 32.6434673671709 0 1 1 1 0 +"1095" 4218 4972 4975 1 148.111968994141 1649.73229980469 0.627931366662319 0.0943835020505104 1 1 1 1 1 +"316" 4674 5504 5507 1 59.930534362793 15611.029296875 3.80033793843292 2.96148039535812 0 1 1 1 0 +"3045" 2799 3313 3319 1 402.569885253906 3525.79614257812 1.51259847517445 8.66794703048202 0 1 1 1 0 +"4230" 2764 3278 3279 1 522.824035644531 2397.7705078125 0.360563260733394 0.552322684253194 1 1 1 1 1 +"4641" 5106 6008 6011 1 280.493896484375 9948.525390625 0.459815744027452 0.601164537100787 0 1 1 1 0 +"3271" 1508 1808 1813 1 418.055877685547 6537.76123046875 1.87908003587411 3.45336846167248 1 1 1 1 1 +"3738" 5066 5959 5964 1 59.8352661132812 1173.7607421875 0.507188608615696 4.82017818358362 1 1 1 1 1 +"881" 4765 5609 5613 1 149.984848022461 3316.44165039062 1.24945284133893 0.799308747944509 1 1 1 1 1 +"330" 4828 5686 5687 1 74.9283599853516 47591.75 5.51143065442564 3.48869610379424 0 1 1 1 0 +"338" 924 1129 1132 1 150.957244873047 8113.93408203125 1.82827109705814 1.41031172062274 0 1 1 1 0 \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/smol/smol_precursors.tsv Fri Aug 05 17:25:45 2022 +0000 @@ -0,0 +1,501 @@ +"grpid" "mz" "mzmin" "mzmax" "rt" "rtmin" "rtmax" "into" "intb" "maxo" "sn" "egauss" "mu" "sigma" "h" "f" "dppm" "scale" "scpos" "scmin" "scmax" "lmin" "lmax" "sample" "cid" "filename" "inPurity" "pid" "precurMtchID" "precurMtchScan" "precurMtchRT" "precurMtchMZ" "precurMtchPPM" "retentionTime" "fileid" "seqNum" "purity_pass_flag" +"4564" 715.163193376895 715.162902832031 715.163452148438 524.51703 511.854708 543.327408 68124392.5089524 68124360.1370324 2638633.25 2638632 NA NA NA NA 38407 0 7 654 647 661 640 675 1 4806 "112621-Mix-Std-pos.mzML" 1 3695 4365 4363 538.820364 715.163146972656 0.0648862237943271 539.100666 1 4365 TRUE +"3994" 610.184961506751 610.182250976562 610.18603515625 755.8023 728.0274 791.62044 90268811.1756026 89873098.1237361 3946269 414 NA NA NA NA 38368 0 15 912 897 927 95 169 1 4493 "112621-Mix-Std-pos.mzML" 0.63717989800486 5170 6086 6085 759.27156 610.185363769531 0.659247286043142 759.4143 1 6086 TRUE +"3071" 394.567666424272 394.567504882812 394.567932128906 98.927796 91.498398 103.272444 10258819.5260393 10258806.91099 1065443.875 1065443 NA NA NA NA 38294 0 3 165 162 168 156 170 1 4281 "112621-Mix-Std-pos.mzML" 0.322880206760663 667 832 828 98.927796 394.567626953125 0.100036445655889 99.411954 1 832 FALSE +"206" 113.963961784921 113.963935852051 113.963981628418 312.848688 310.268844 317.183886 38107087.5822459 38107079.8028237 5493645.5 5493644 NA NA NA NA 37820 0 3 414 411 417 411 419 1 3561 "112621-Mix-Std-pos.mzML" 1 2184 2602 2599 316.424484 113.963973999023 0.107175130059156 316.717326 1 2602 TRUE +"1867" 282.279710845217 282.279632568359 282.279815673828 785.50848 780.32148 790.71504 78406181.3093126 78349103.2808207 18704088 3158 NA NA NA NA 38205 0 3 946 943 949 940 952 1 3894 "112621-Mix-Std-pos.mzML" 1 5383 6334 6330 789.80868 282.279663085938 0.169191329596414 790.32492 1 6334 TRUE +"322" 116.962143353853 116.962104797363 116.962173461914 79.109688 73.366812 89.860878 85723358.1468938 85723340.8281245 5532441.5 5532440 NA NA NA NA 37831 0 7 141 134 148 134 154 1 3642 "112621-Mix-Std-pos.mzML" 0.404303077405988 598 752 751 89.860878 116.962188720703 0.387876361642145 89.997432 1 752 FALSE +"3031" 394.567361056246 394.566467285156 394.567962646484 289.269234 281.878662 297.169194 8797786.29232762 8797770.15232162 748283.625 748283 NA NA NA NA 38294 0 5 387 382 392 378 396 1 4270 "112621-Mix-Std-pos.mzML" 0.271064477062517 2006 2394 2389 290.160234 394.567291259766 0.176893700377418 290.792616 1 2394 FALSE +"488" 124.087078280043 124.087051391602 124.087104797363 832.48656 821.93232 839.71686 643254675.498166 640307081.714018 46021640 267 NA NA NA NA 39454 0 9 1080 1071 1089 134 188 1 5028 "112621-Mix-Std-pos.mzML" 1 5617 6715 6714 838.46994 124.087104797363 0.213699287089413 838.6065 1 6715 TRUE +"355" 116.962161735654 116.96208190918 116.962219238281 765.47388 749.46408 775.90596 56916919.4019698 56916892.133781 2495210.75 2495210 NA NA NA NA 37831 0 11 923 912 934 903 935 1 3641 "112621-Mix-Std-pos.mzML" 0.338543575508608 5143 6054 6050 755.0475 116.96208190918 0.682498283005308 755.44884 1 6054 FALSE +"4996" 1402.38128314528 1402.38098144531 1402.38171386719 750.79302 745.90356 755.0475 259974026.717928 259943611.776948 78667160 12167 NA NA NA NA 38452 0 3 905 902 908 147 159 1 4983 "112621-Mix-Std-pos.mzML" 1 5084 5985 5980 747.75258 1402.38159179688 0.220091068376056 748.43424 1 5985 TRUE +"4566" 715.163044710992 715.162902832031 715.163208007812 391.803024 387.392898 397.040682 24308831.4186101 24308820.8937548 3120463.25 3120462 NA NA NA NA 38407 0 3 505 502 508 500 511 1 4810 "112621-Mix-Std-pos.mzML" 1 2730 3239 3236 395.21133 715.163146972656 0.142990700243371 395.622456 1 3239 TRUE +"733" 144.982283270068 144.982162475586 144.982330322266 286.85778 281.878662 291.055506 14678972.238126 14678962.2270235 2323583.75 2323583 NA NA NA NA 37944 0 3 384 381 387 378 389 1 3736 "112621-Mix-Std-pos.mzML" 0.717047067829164 1987 2372 2368 287.735154 144.982315063477 0.219291679700271 288.13074 1 2372 TRUE +"4373" 710.207782799929 710.207458496094 710.208068847656 219.103968 187.423992 254.83425 517046609.341661 517046541.067169 13950125 13950124 NA NA NA NA 38402 0 19 306 287 325 269 347 1 4661 "112621-Mix-Std-pos.mzML" 1 1744 2089 2088 253.076724 710.207702636719 0.112872898058903 253.220274 1 2089 TRUE +"3994" 610.184961506751 610.182250976562 610.18603515625 755.8023 728.0274 791.62044 90268811.1756026 89873098.1237361 3946269 414 NA NA NA NA 38368 0 15 912 897 927 95 169 1 4493 "112621-Mix-Std-pos.mzML" 0.62852536180878 5206 6128 6127 764.58138 610.18505859375 0.159110769245975 764.724 1 6128 TRUE +"2573" 369.352466686781 369.352294921875 369.352722167969 726.38172 717.16692 736.93266 16613225.937992 16397718.4802193 1921184.875 105 NA NA NA NA 35308 0 5 877 872 882 106 129 1 2772 "112621-Mix-Std-pos.mzML" 0.640405460471223 4949 5828 5826 728.0274 369.352294921875 0.465043344589304 728.2782 1 5828 TRUE +"333" 116.962179849084 116.96215057373 116.962203979492 233.010894 226.823238 237.332574 32161734.5353591 32161723.1502451 2956433.25 2956432 NA NA NA NA 37831 0 3 322 319 325 315 327 1 3650 "112621-Mix-Std-pos.mzML" 0.381744202396618 1602 1923 1920 232.107048 116.962203979492 0.206309492610889 232.495704 1 1923 FALSE +"325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.396414943756707 1432 1725 1724 208.319718 116.962158203125 0.180932312010379 208.456278 1 1725 FALSE +"4525" 715.163153199607 715.162963867188 715.163269042969 458.08542 455.334072 461.547414 16006982.6382576 16006975.5372953 2579762 2579761 NA NA NA NA 38407 0 3 580 577 583 577 584 1 4803 "112621-Mix-Std-pos.mzML" 1 3150 3729 3726 457.172388 715.163146972656 0.00870703471835589 457.569102 1 3729 TRUE +"57" 103.955790989587 103.955741882324 103.955825805664 501.017148 493.843572 510.931152 20345957.2315125 20345939.2445862 1281629.5 1281628 NA NA NA NA 37798 0 5 628 623 633 620 639 1 3426 "112621-Mix-Std-pos.mzML" 0.923076487831942 3469 4101 4097 504.584694 103.955772399902 0.178822986127829 505.073286 1 4101 TRUE +"50" 103.955807429283 103.955764770508 103.955841064453 94.057464 88.163646 101.549862 15312302.3563009 15312288.1334464 1196229.125 1196228 NA NA NA NA 37798 0 5 159 154 164 152 168 1 3429 "112621-Mix-Std-pos.mzML" 0.817526731410752 595 748 744 89.014944 103.955810546875 0.0299895863201778 89.475972 1 748 TRUE +"2220" 327.078672967418 327.078643798828 327.078765869141 715.45692 710.0616 719.81046 350128057.793686 350058423.835021 100996112 10932 NA NA NA NA 38225 0 3 864 861 867 858 869 1 3917 "112621-Mix-Std-pos.mzML" 0.966524057207381 4843 5704 5700 712.87494 327.078704833984 0.0974278337935015 713.37588 1 5704 TRUE +"2633" 374.053696526901 374.053466796875 374.053863525391 125.852244 121.614252 129.193758 6560691.2788207 6560682.85714737 951157.9375 951157 NA NA NA NA 38257 0 3 197 194 200 192 201 1 4001 "112621-Mix-Std-pos.mzML" 0.353232587926249 836 1029 1024 122.451132 374.053466796875 0.614163227668957 123.068904 1 1029 FALSE +"1409" 217.049928116644 217.049896240234 217.04997253418 553.95906 548.665956 559.185864 646074935.981345 646007115.415555 225960336 15375 NA NA NA NA 32724 0 3 687 684 690 99 111 1 1928 "112621-Mix-Std-pos.mzML" 0.0306853254592788 3810 4499 4496 555.62487 217.049926757812 0.00626045574153934 556.042554 1 4499 FALSE +"2609" 374.053578387252 374.053253173828 374.0537109375 132.653454 129.193758 136.068306 5983092.27707775 5983084.54321125 896286.125 896285 NA NA NA NA 38257 0 3 205 202 208 201 209 1 3986 "112621-Mix-Std-pos.mzML" 0.410267137223006 919 1126 1122 134.228154 374.053619384766 0.109603317794862 134.737836 1 1126 FALSE +"3388" 432.281055917378 432.280334472656 432.281341552734 303.264486 298.01736 308.491668 1649103.33249256 1393584.22459079 472281.84375 25 NA NA NA NA 16192 1 3 403 400 406 111 123 1 1101 "112621-Mix-Std-pos.mzML" 0.899423646036557 2096 2499 2494 303.264486 432.281036376953 0.0452030557254298 303.916338 1 2499 TRUE +"4402" 710.20783813941 710.207641601562 710.208068847656 506.47773 503.70723 510.931152 38448250.0608547 38448241.9339425 5512657.5 5512656 NA NA NA NA 38402 0 3 634 631 637 631 639 1 4702 "112621-Mix-Std-pos.mzML" 1 3461 4092 4090 503.70723 710.207641601562 0.276732861771152 503.961108 1 4092 TRUE +"4373" 710.207782799929 710.207458496094 710.208068847656 219.103968 187.423992 254.83425 517046609.341661 517046541.067169 13950125 13950124 NA NA NA NA 38402 0 19 306 287 325 269 347 1 4661 "112621-Mix-Std-pos.mzML" 1 1613 1936 1934 233.80287 710.207885742188 0.144946676978875 234.082578 1 1936 TRUE +"4538" 715.163124261445 715.162902832031 715.163269042969 236.424492 231.264216 240.802224 32229168.1325188 32229157.7274192 3904604.75 3857496 NA NA NA NA 38407 0 3 326 323 329 320 331 1 4827 "112621-Mix-Std-pos.mzML" 1 1642 1970 1969 238.1697 715.163024902344 0.138932081166938 238.31352 1 1970 TRUE +"2872" 383.059437103105 383.059295654297 383.059600830078 85.644996 82.395588 88.163646 3994570.02165908 3994563.42959279 702795.4375 702794 NA NA NA NA 38271 1 3 149 146 152 145 152 1 4226 "112621-Mix-Std-pos.mzML" 0.42246070523142 554 700 695 83.174088 383.059417724609 0.0505887433498227 83.765076 1 700 FALSE +"344" 116.96218728199 116.96215057373 116.962203979492 639.12918 634.62936 642.80586 19378629.5616248 19378620.4766248 2330604.25 2330603 NA NA NA NA 37831 0 3 781 778 784 776 785 1 3632 "112621-Mix-Std-pos.mzML" 0.0468260969736919 4359 5139 5133 638.24256 116.962196350098 0.077530249353153 638.99784 1 5139 FALSE +"329" 116.962124146082 116.962104797363 116.96216583252 111.6063 106.589628 115.7295 42821655.3060241 42821645.3352546 4449985.5 4440574 NA NA NA NA 37831 0 3 180 177 183 174 185 1 3660 "112621-Mix-Std-pos.mzML" 0.402191422217268 766 948 947 113.28465 116.962127685547 0.0302616369643334 113.421222 1 948 FALSE +"337" 116.962190526974 116.96215057373 116.962249755859 585.499998 568.24977 600.93324 75333619.5975388 75333586.0061947 2396871.75 2396871 NA NA NA NA 37831 0 5 722 717 727 703 739 1 3631 "112621-Mix-Std-pos.mzML" 0.352995714505291 3910 4616 4615 570.959748 116.96215057373 0.341591099235825 571.186716 1 4616 FALSE +"4413" 710.20781270561 710.207641601562 710.207885742188 329.251866 324.137736 337.831242 85968760.1147195 85968745.5653694 7593580 7593579 NA NA NA NA 38402 0 5 433 428 438 427 443 1 4677 "112621-Mix-Std-pos.mzML" 1 2267 2699 2697 328.502592 710.207824707031 0.0168984640187787 328.724766 1 2699 TRUE +"4556" 715.163130766696 715.162963867188 715.163269042969 81.526746 77.414766 85.644996 11355827.8935088 11355818.8402558 1629340.75 1629340 NA NA NA NA 38407 0 3 144 141 147 139 149 1 4818 "112621-Mix-Std-pos.mzML" 1 535 678 674 80.665392 715.163208007812 0.108004892375192 81.170886 1 678 TRUE +"315" 116.962153856703 116.962127685547 116.962181091309 398.836758 391.803024 405.07398 37313813.6120921 37313799.4564057 2765079 2765078 NA NA NA NA 37831 0 5 513 508 518 505 520 1 3654 "112621-Mix-Std-pos.mzML" 0.368623578201359 2707 3212 3208 391.803024 116.962142944336 0.0932982772446101 392.26071 1 3212 FALSE +"1606" 247.060599522678 247.060546875 247.060729980469 556.55259 552.314838 560.971284 66100979.187508 66096408.0850012 24086330 9065 NA NA NA NA 27193 0 3 690 687 693 99 109 1 1680 "112621-Mix-Std-pos.mzML" 0.928139738843756 3798 4485 4482 553.95906 247.060729980469 0.528039642955693 554.303898 1 4485 TRUE +"356" 116.96218000487 116.96216583252 116.962196350098 654.61218 649.13784 660.1842 24763769.4307899 24763757.4638999 2174903.5 2174902 NA NA NA NA 37831 0 3 798 795 801 792 804 1 3647 "112621-Mix-Std-pos.mzML" 0.346714122516589 4457 5254 5252 653.73192 116.962181091309 0.0092888007738686 653.96076 1 5254 FALSE +"332" 116.962146721136 116.962127685547 116.962181091309 241.74447 237.332574 246.095598 26927574.6275436 26927564.9882172 3056984 3056983 NA NA NA NA 37831 0 3 332 329 335 327 337 1 3662 "112621-Mix-Std-pos.mzML" 0.155920939789341 1639 1966 1962 237.332574 116.96215057373 0.0329388168595468 237.78564 1 1966 FALSE +"22" 103.95580088644 103.955757141113 103.955871582031 664.73424 607.36614 718.02834 100489686.469614 100489574.892851 1133407.75 1058466 NA NA NA NA 37798 0 33 809 776 842 746 867 1 3410 "112621-Mix-Std-pos.mzML" 0.925420354200302 4256 5019 5014 622.79316 103.955841064453 0.38649130025614 623.40792 1 5019 TRUE +"2907" 383.059425135895 383.059204101562 383.059539794922 251.32227 242.607528 256.528452 5714729.15131996 5714714.36033821 554421.4375 554420 NA NA NA NA 38271 1 3 343 340 346 333 349 1 4217 "112621-Mix-Std-pos.mzML" 0.513764768669291 1749 2094 2088 253.076724 383.059478759766 0.13998838552616 253.87446 1 2094 TRUE +"4401" 710.207638333574 710.207397460938 710.207946777344 275.757876 270.465306 281.004792 77863771.0065091 77863759.5887326 8063451 8063450 NA NA NA NA 38402 0 3 371 368 374 365 377 1 4695 "112621-Mix-Std-pos.mzML" 1 1912 2285 2284 277.461 710.207763671875 0.176481206856348 277.604556 1 2285 TRUE +"347" 116.962140674009 116.962120056152 116.962188720703 252.182202 246.095598 257.402778 34943961.0916465 34943948.9146834 3034781.5 3034780 NA NA NA NA 37831 1 3 344 341 347 337 350 1 3636 "112621-Mix-Std-pos.mzML" 0.382897179929253 1729 2071 2067 250.462656 116.962120056152 0.176278039447469 250.940832 1 2071 FALSE +"238" 113.963921810091 113.963897705078 113.963958740234 273.211956 265.202904 281.004792 88385887.0477654 88385870.3679948 5822680.5 5822680 NA NA NA NA 37820 0 5 368 363 373 359 377 1 3545 "112621-Mix-Std-pos.mzML" 0.946725147984213 1858 2222 2221 269.609082 113.963958740234 0.324051180980603 269.744838 1 2222 TRUE +"1836" 279.207470302166 279.207397460938 279.208099365234 695.30382 691.61142 700.89192 3061455.19811414 3055977.74643346 1067472.875 222 NA NA NA NA 32753 0 3 842 839 845 99 109 1 1932 "112621-Mix-Std-pos.mzML" 0.874702021203913 4722 5563 5560 694.37538 279.207397460938 0.260885670619994 694.77858 1 5563 TRUE +"1958" 292.040111167008 292.039764404297 292.040771484375 297.169194 292.765038 302.389542 2336185.90515266 2336176.28064866 627777 627776 NA NA NA NA 14682 1 3 396 393 399 99 110 1 987 "112621-Mix-Std-pos.mzML" 0.688575274546962 2053 2449 2445 297.169194 292.040069580078 0.142401432168874 297.637884 1 2449 TRUE +"4374" 710.207750591799 710.207458496094 710.207946777344 108.269754 87.295818 126.713472 219135512.631585 219135472.375257 7013994.5 7013994 NA NA NA NA 38402 0 13 176 163 189 151 198 1 4668 "112621-Mix-Std-pos.mzML" 1 647 809 807 96.520716 710.207946777344 0.27623683945847 96.734994 1 809 TRUE +"2613" 374.05365139656 374.053436279297 374.053802490234 79.109688 73.366812 84.018864 9225955.94399325 9225944.47255263 1002017.0625 1002016 NA NA NA NA 38257 0 5 141 136 146 134 147 1 3992 "112621-Mix-Std-pos.mzML" 0.379791010961941 494 630 625 74.921088 374.053649902344 0.0039946575300319 75.488898 1 630 FALSE +"334" 116.96214524191 116.962112426758 116.962188720703 795.90858 778.59498 803.67708 59029745.2292249 59029720.1471249 2598260.25 2598259 NA NA NA NA 37831 0 9 958 949 967 938 967 1 3628 "112621-Mix-Std-pos.mzML" 0.39862348610336 5416 6373 6372 795.08736 116.962127685547 0.150102953232937 795.22434 1 6373 FALSE +"348" 116.962179814881 116.962127685547 116.962226867676 412.955484 405.07398 422.868564 49672959.7601538 49672941.0758406 2788807 2753994 NA NA NA NA 37831 0 5 529 524 534 520 540 1 3625 "112621-Mix-Std-pos.mzML" 0.381653864659946 2831 3357 3355 410.327964 116.96215057373 0.250005178498377 410.665686 1 3357 FALSE +"342" 116.96218013444 116.96216583252 116.962196350098 674.91036 669.31818 680.36304 24456048.8107239 24456036.8454589 2179425.5 2179424 NA NA NA NA 37831 0 3 820 817 823 814 826 1 3640 "112621-Mix-Std-pos.mzML" 0.348905921905137 4606 5428 5427 676.7544 116.962196350098 0.138640175400191 676.89096 1 5428 FALSE +"734" 144.982399994309 144.982360839844 144.982452392578 357.707424 344.631804 363.875304 27296541.5289374 27296521.4107329 1760190.25 1760189 NA NA NA NA 37944 0 7 466 459 473 451 473 1 3759 "112621-Mix-Std-pos.mzML" 0.69551181415178 2494 2964 2963 361.205952 144.982391357422 0.0595719713064696 361.342608 1 2964 TRUE +"4412" 710.207094096135 710.206848144531 710.207336425781 750.79302 745.90356 755.8023 886567350.28498 886567339.624799 176495312 176495311 NA NA NA NA 38402 1 3 905 902 908 899 912 1 4665 "112621-Mix-Std-pos.mzML" 1 5111 6017 6015 751.4634 710.207092285156 0.00254993076009463 751.68552 1 6017 TRUE +"4404" 710.207866106661 710.207641601562 710.208068847656 524.51703 512.774208 542.422032 145266940.692517 145266910.146274 5711099.5 5711098 NA NA NA NA 38402 0 7 654 647 661 641 674 1 4678 "112621-Mix-Std-pos.mzML" 1 3523 4164 4160 512.774208 710.2080078125 0.19952727287769 513.285108 1 4164 TRUE +"321" 116.96213006885 116.962089538574 116.962158203125 556.55259 550.489806 560.971284 26723208.8019777 26723197.4470432 2572019.75 2572019 NA NA NA NA 37831 0 3 690 687 693 683 695 1 3638 "112621-Mix-Std-pos.mzML" 0.334206321764009 3790 4476 4475 553.12566 116.962112426758 0.150835930480784 553.261434 1 4476 FALSE +"4199" 693.180981452861 693.180786132812 693.181213378906 214.338342 208.319718 224.22357 121493668.381446 121491410.544332 8945573 14831 NA NA NA NA 38392 0 3 300 297 303 293 312 1 4532 "112621-Mix-Std-pos.mzML" 1 1495 1798 1794 216.928968 693.180603027344 0.545925994731238 217.33335 1 1798 TRUE +"22" 103.95580088644 103.955757141113 103.955871582031 664.73424 607.36614 718.02834 100489686.469614 100489574.892851 1133407.75 1058466 NA NA NA NA 37798 0 33 809 776 842 746 867 1 3410 "112621-Mix-Std-pos.mzML" 0.886911026752811 4380 5164 5161 641.9199 103.95580291748 0.0195375340308081 642.27804 1 5164 TRUE +"757" 144.982360884806 144.982315063477 144.982406616211 275.757876 272.357532 281.878662 13662813.2190113 13662802.832324 1673273 1673272 NA NA NA NA 37944 0 3 371 368 374 367 378 1 3757 "112621-Mix-Std-pos.mzML" 0.626071427552293 1944 2322 2319 281.878662 144.982376098633 0.104935709362653 282.245808 1 2322 TRUE +"4397" 710.20780640617 710.207702636719 710.207946777344 383.029206 378.759876 387.392898 53885926.0693895 53885916.5730653 6858280.5 6858280 NA NA NA NA 38402 0 3 495 492 498 490 500 1 4697 "112621-Mix-Std-pos.mzML" 1 2629 3121 3117 380.46042 710.207946777344 0.197648030381449 380.992632 1 3121 TRUE +"3350" 424.364331538799 424.364135742188 424.364501953125 742.3614 736.93266 750.14112 5742056.84399712 5555332.95456243 974200.5 67 NA NA NA NA 35373 1 3 895 892 898 108 123 1 2797 "112621-Mix-Std-pos.mzML" 0.9123624048484 5042 5936 5931 741.43536 424.364318847656 0.0299062438576175 742.1043 1 5936 TRUE +"3481" 449.108697685258 449.108581542969 449.108734130859 324.137736 318.912522 329.251866 320697560.060326 320669478.462338 77511800 9226 NA NA NA NA 33080 0 3 427 424 430 116 128 1 1995 "112621-Mix-Std-pos.mzML" 1 2242 2670 2669 324.954906 449.108673095703 0.0547519016963293 325.095972 1 2670 TRUE +"1806" 275.995981890743 275.995849609375 275.996520996094 297.169194 293.642508 302.389542 3963281.52566764 3963272.77863364 1213663.75 1213663 NA NA NA NA 14644 1 3 396 393 399 99 109 1 984 "112621-Mix-Std-pos.mzML" 0.648780371646998 2046 2441 2438 296.314356 275.995849609375 0.47928729687923 296.678556 1 2441 TRUE +"31" 103.955806038911 103.955787658691 103.95581817627 155.683884 148.811682 160.710288 14219056.418962 14219043.6704556 1230945.125 1230944 NA NA NA NA 37798 0 3 232 229 235 224 238 1 3413 "112621-Mix-Std-pos.mzML" 0.851974812328093 1056 1286 1283 153.922452 103.955810546875 0.043364231354581 154.315914 1 1286 TRUE +"4165" 684.490741687655 684.490173339844 684.492797851562 662.92254 653.73192 673.09554 3390025.88961322 3351899.79848277 565048.9375 71 NA NA NA NA 32891 0 5 807 802 812 97 118 1 1944 "112621-Mix-Std-pos.mzML" 1 4525 5333 5329 663.81 684.49072265625 0.0278037428669744 664.34292 1 5333 TRUE +"336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.366609995397074 3296 3899 3894 478.540644 116.962127685547 0.296576117904318 479.16063 1 3899 FALSE +"4203" 693.181060844327 693.180603027344 693.181274414062 419.282754 412.955484 424.58244 81420745.281739 81419056.5347032 7437825.5 12331 NA NA NA NA 38392 0 3 536 533 539 529 542 1 4529 "112621-Mix-Std-pos.mzML" 1 2923 3464 3460 423.787032 693.181335449219 0.396151752031903 424.195992 1 3464 TRUE +"218" 113.963944505501 113.963897705078 113.963996887207 82.395588 65.072832 104.019576 331015816.912758 331015777.13736 9965558 9965557 NA NA NA NA 37820 0 21 145 124 166 124 171 1 3528 "112621-Mix-Std-pos.mzML" 1 646 808 807 96.520716 113.963973999023 0.2587969647642 96.656472 1 808 TRUE +"4394" 710.207955560318 710.207702636719 710.208435058594 577.346844 566.453892 586.468944 89503682.7688309 89503661.8440038 5584779.5 5584778 NA NA NA NA 38402 0 7 713 706 720 701 723 1 4684 "112621-Mix-Std-pos.mzML" 1 3962 4676 4671 578.254668 710.208190917969 0.331392586063329 578.911968 1 4676 TRUE +"355" 116.962161735654 116.96208190918 116.962219238281 765.47388 749.46408 775.90596 56916919.4019698 56916892.133781 2495210.75 2495210 NA NA NA NA 37831 0 11 923 912 934 903 935 1 3641 "112621-Mix-Std-pos.mzML" 0.163378811889061 5207 6129 6127 764.58138 116.962127685547 0.291120708341812 764.8521 1 6129 FALSE +"4408" 710.207726745564 710.207580566406 710.207885742188 391.803024 387.392898 397.040682 60477283.9831876 60477273.4583324 7560990.5 7560990 NA NA NA NA 38402 0 3 505 502 508 500 511 1 4675 "112621-Mix-Std-pos.mzML" 1 2722 3230 3229 394.382586 710.207641601562 0.119886054029119 394.526154 1 3230 TRUE +"4403" 710.207874990055 710.207458496094 710.208190917969 163.306758 159.017412 166.73346 51887004.5907358 51886996.0173491 7439013.5 7439012 NA NA NA NA 38402 0 3 241 238 244 236 245 1 4673 "112621-Mix-Std-pos.mzML" 1 1109 1348 1346 161.65629 710.207763671875 0.156740278437863 161.870592 1 1348 TRUE +"323" 116.962170026759 116.962135314941 116.962196350098 101.549862 95.702622 106.589628 53008744.699221 53008732.974753 4921296 4921295 NA NA NA NA 37831 0 3 168 165 171 161 174 1 3643 "112621-Mix-Std-pos.mzML" 0.335821622849668 694 864 863 103.272444 116.962188720703 0.159828980181257 103.408206 1 864 FALSE +"4330" 695.187145076603 695.186828613281 695.1875 750.79302 745.90356 755.0475 221279733.048096 221279723.142161 67561832 67561831 NA NA NA NA 38397 1 3 905 902 908 899 911 1 4618 "112621-Mix-Std-pos.mzML" 0.912557953576007 5102 6006 6001 750.14112 695.187255859375 0.15935676093791 750.60582 1 6006 TRUE +"354" 116.962147021599 116.96208190918 116.962203979492 126.713472 115.7295 133.414992 76904626.540291 76904608.0126328 4405880 4405879 NA NA NA NA 37831 0 5 198 193 203 185 206 1 3635 "112621-Mix-Std-pos.mzML" 0.404956561660579 850 1046 1045 125.055276 116.962158203125 0.0955995306648246 125.191848 1 1046 FALSE +"98" 105.954040684441 105.954002380371 105.954086303711 667.53198 666.6102 717.16692 20440029.3141386 20439977.8382055 510531.6875 495506 NA NA NA NA 37801 0 33 812 779 845 811 866 1 3457 "112621-Mix-Std-pos.mzML" 0.502660629044656 4753 5599 5595 699.04716 105.954071044922 0.286543865474942 699.5691 1 5599 TRUE +"3133" 396.067325395119 396.066986083984 396.067504882812 60.188688 55.077309 68.372388 9645026.71844004 9645012.5924186 872730.1875 872729 NA NA NA NA 38298 1 3 118 115 121 112 128 1 4390 "112621-Mix-Std-pos.mzML" 0.321663464656378 379 496 492 59.2672884 396.067138671875 0.471443191774303 59.8038828 1 496 FALSE +"765" 144.98238747247 144.982330322266 144.982452392578 527.222316 516.454506 537.957192 29920064.9133821 29920042.5147509 1840150.75 1840150 NA NA NA NA 37944 0 5 657 652 662 645 669 1 3752 "112621-Mix-Std-pos.mzML" 0.652227827161827 3557 4204 4202 518.240832 144.982437133789 0.342533460042108 518.50101 1 4204 TRUE +"4203" 693.181060844327 693.180603027344 693.181274414062 419.282754 412.955484 424.58244 81420745.281739 81419056.5347032 7437825.5 12331 NA NA NA NA 38392 0 3 536 533 539 529 542 1 4529 "112621-Mix-Std-pos.mzML" 1 2872 3405 3404 416.71494 693.181213378906 0.220050125205411 416.858514 1 3405 TRUE +"344" 116.96218728199 116.96215057373 116.962203979492 639.12918 634.62936 642.80586 19378629.5616248 19378620.4766248 2330604.25 2330603 NA NA NA NA 37831 0 3 781 778 784 776 785 1 3632 "112621-Mix-Std-pos.mzML" 0.34717651053437 4349 5128 5126 637.32966 116.962181091309 0.0529289137070573 637.5945 1 5128 FALSE +"4382" 710.207749017063 710.207580566406 710.207946777344 471.499392 467.847138 476.768292 47921869.7726192 47921859.9593498 5577807 5577806 NA NA NA NA 38402 0 3 595 592 598 591 601 1 4700 "112621-Mix-Std-pos.mzML" 1 3269 3868 3866 474.95445 710.207885742188 0.192514266822352 475.226754 1 3868 TRUE +"4384" 710.207880512326 710.207641601562 710.211791992188 35.937783 20.2441728 51.7259328 144319527.986323 144319496.504563 7153124.5 7153124 NA NA NA NA 38402 0 23 88 65 111 66 108 1 4660 "112621-Mix-Std-pos.mzML" 1 83 151 149 20.9739168 710.210388183594 3.53089755294162 21.247062 1 151 TRUE +"339" 116.96213583239 116.962097167969 116.962173461914 275.757876 273.211956 280.127796 22289582.44968 22289574.66936 3001595.5 3001594 NA NA NA NA 37831 0 3 371 368 374 368 376 1 3651 "112621-Mix-Std-pos.mzML" 0.383082614868761 1890 2259 2256 274.127454 116.962127685547 0.0696536830755821 274.427862 1 2259 FALSE +"4211" 693.181133983834 693.181030273438 693.181213378906 236.424492 232.107048 240.802224 67689003.5819592 67687713.5961001 8601567 14261 NA NA NA NA 38392 0 3 326 323 329 321 331 1 4556 "112621-Mix-Std-pos.mzML" 1 1636 1963 1962 237.332574 693.181213378906 0.11453726678807 237.476148 1 1963 TRUE +"1190" 185.115254743378 185.115203857422 185.115356445312 378.759876 373.5327 384.725832 32513761.3345122 32178467.7638941 6390080 280 NA NA NA NA 21368 0 3 490 487 493 199 212 1 1460 "112621-Mix-Std-pos.mzML" 0.916565867543729 2633 3126 3124 381.371376 185.115356445312 0.54939791379211 381.597048 1 3126 TRUE +"4206" 693.181109785817 693.180969238281 693.181213378906 464.282118 461.547414 467.847138 40208408.2616064 40207437.2434352 6181405.5 10248 NA NA NA NA 38392 0 3 587 584 590 584 591 1 4560 "112621-Mix-Std-pos.mzML" 1 3209 3798 3796 466.161846 693.18115234375 0.0613951135457291 466.403694 1 3798 TRUE +"4553" 715.16327387486 715.1630859375 715.163452148438 439.699512 425.44404 447.570012 49539923.7517714 49539900.7407605 2810780.5 2810780 NA NA NA NA 38407 0 5 559 554 564 543 568 1 4811 "112621-Mix-Std-pos.mzML" 1 2983 3534 3530 432.596238 715.163146972656 0.177445078863584 433.12029 1 3534 TRUE +"3034" 394.567626182733 394.567413330078 394.56787109375 357.707424 341.138448 378.759876 18207588.7017688 18207550.2054239 670660.1875 670659 NA NA NA NA 38294 0 9 466 457 475 447 490 1 4264 "112621-Mix-Std-pos.mzML" 0.255620317264158 2377 2827 2823 343.708554 394.567687988281 0.156641205667215 344.241276 1 2827 FALSE +"4375" 710.207688488933 710.207580566406 710.207824707031 553.95906 548.665956 560.971284 72303292.9236955 72303279.7394155 7333526.5 7333526 NA NA NA NA 38402 0 3 687 684 690 681 695 1 4664 "112621-Mix-Std-pos.mzML" 1 3778 4462 4461 551.453646 710.207824707031 0.191800371393638 551.597196 1 4462 TRUE +"2246" 327.078663103214 327.078491210938 327.078826904297 125.852244 120.833574 130.063452 15470380.9107755 15404453.9261706 1717773.375 185 NA NA NA NA 38225 0 3 197 194 200 191 202 1 3928 "112621-Mix-Std-pos.mzML" 0.823524656642563 881 1082 1080 129.193758 327.078735351562 0.22088982536065 129.460284 1 1082 TRUE +"4214" 693.181157815947 693.178527832031 693.184814453125 36.7767408 14.605428 89.014944 388730004.956953 388721177.365676 8732336 14428 NA NA NA NA 38392 0 23 89 66 112 45 153 1 4520 "112621-Mix-Std-pos.mzML" 1 544 689 688 82.395588 693.181091308594 0.0959451262806887 82.5393 1 689 TRUE +"747" 144.98238800055 144.982315063477 144.982437133789 181.354044 175.26021 198.86109 27199032.79674 27199008.3217533 1563392.625 1563392 NA NA NA NA 37944 0 7 262 255 269 255 282 1 3755 "112621-Mix-Std-pos.mzML" 0.579840332818029 1267 1532 1528 183.95202 144.982360839844 0.187337966857883 184.482492 1 1532 TRUE +"3480" 449.108589217265 449.108489990234 449.108825683594 379.585746 374.449284 384.725832 45210875.9047694 45182964.860351 10777759 1283 NA NA NA NA 33080 0 3 491 488 494 180 192 1 1996 "112621-Mix-Std-pos.mzML" 1 2614 3104 3103 378.759876 449.108489990234 0.22094217927393 378.900462 1 3104 TRUE +"4880" 1059.2838338896 1059.28332519531 1059.28625488281 782.00022 774.15558 789.80868 49683219.2127502 49481264.532382 13998240 614 NA NA NA NA 38438 0 5 942 937 947 124 142 1 4966 "112621-Mix-Std-pos.mzML" 1 5311 6250 6246 779.52714 1059.2841796875 0.32644498568331 779.98104 1 6250 TRUE +"2618" 374.05367731572 374.053375244141 374.053924560547 109.899096 95.702622 121.614252 21384629.3922815 21384602.6447925 946315.0625 946314 NA NA NA NA 38257 0 9 178 169 187 161 192 1 3979 "112621-Mix-Std-pos.mzML" 0.20834647801381 716 889 884 105.71427 374.053466796875 0.562803837268616 106.33677 1 889 FALSE +"339" 116.96213583239 116.962097167969 116.962173461914 275.757876 273.211956 280.127796 22289582.44968 22289574.66936 3001595.5 3001594 NA NA NA NA 37831 0 3 371 368 374 368 376 1 3651 "112621-Mix-Std-pos.mzML" 0.35598477841429 1918 2292 2291 278.368002 116.962173461914 0.321723978265167 278.5038 1 2292 FALSE +"4384" 710.207880512326 710.207641601562 710.211791992188 35.937783 20.2441728 51.7259328 144319527.986323 144319496.504563 7153124.5 7153124 NA NA NA NA 38402 0 23 88 65 111 66 108 1 4660 "112621-Mix-Std-pos.mzML" 1 311 417 415 50.186412 710.2080078125 0.17924353858056 50.42454 1 417 TRUE +"4220" 693.181231587142 693.181091308594 693.181335449219 691.61142 685.09428 710.0616 79606208.1134132 79602716.0663987 3837063.75 5708 NA NA NA NA 38392 0 5 838 833 843 831 858 1 4553 "112621-Mix-Std-pos.mzML" 1 4708 5547 5546 692.53764 693.181213378906 0.0262676414374238 692.68134 1 5547 TRUE +"4208" 693.181303033378 693.180969238281 693.181518554688 622.79316 614.6313 630.10008 65078592.1893452 65076383.2004431 4595294.5 7619 NA NA NA NA 38392 0 5 763 758 768 754 771 1 4544 "112621-Mix-Std-pos.mzML" 1 4216 4973 4972 617.43048 693.181030273438 0.393490043252881 617.57412 1 4973 TRUE +"325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.405861137456563 1228 1487 1486 178.789086 116.96216583252 0.115702726065186 178.926006 1 1487 FALSE +"2634" 374.053770666689 374.053588867188 374.053955078125 165.868284 159.017412 172.739286 10030019.9074216 10030005.3279305 822166.25 809636 NA NA NA NA 38257 0 5 244 239 249 236 252 1 3987 "112621-Mix-Std-pos.mzML" 0.415535065989667 1135 1378 1374 165.010788 374.053833007812 0.166663533884933 165.489042 1 1378 FALSE +"3016" 393.298192984333 393.297668457031 393.29833984375 801.0522 790.71504 803.67708 9839953.24976292 9629139.21854535 3006234.5 59 NA NA NA NA 38288 1 7 964 957 971 143 158 1 4256 "112621-Mix-Std-pos.mzML" 0.661214491243321 5457 6420 6414 800.22426 393.29833984375 0.373404758617247 800.9307 1 6420 TRUE +"2261" 328.081903906798 328.081817626953 328.082153320312 715.45692 710.0616 720.61788 71690699.3946348 69603719.8421907 19438350 171 NA NA NA NA 35387 0 3 864 861 867 389 401 1 2801 "112621-Mix-Std-pos.mzML" 0.101552932605439 4880 5747 5742 718.02834 328.082153320312 0.760217223935449 718.69344 1 5747 FALSE +"4380" 710.20799205079 710.207824707031 710.208129882812 692.53764 684.18426 700.89192 57090633.9266101 57090616.2907468 3776938.5 3776938 NA NA NA NA 38402 0 3 839 836 842 830 848 1 4690 "112621-Mix-Std-pos.mzML" 1 4736 5579 5574 696.32448 710.2080078125 0.0221930901042136 696.95046 1 5579 TRUE +"2648" 374.053877056063 374.053588867188 374.054321289062 50.9907312 42.3008058 55.077309 9773498.74072855 9773485.1656939 991358.3125 991357 NA NA NA NA 38257 1 3 107 104 110 96 112 1 3991 "112621-Mix-Std-pos.mzML" 0.389090991655986 326 434 429 51.7259328 374.053802490234 0.199345157508537 52.2494418 1 434 FALSE +"816" 149.02357433641 149.023544311523 149.023620605469 801.0522 793.34184 803.67708 12247777.5615636 11720470.4475592 4091458.75 74 NA NA NA NA 37957 0 5 964 959 969 955 967 1 3784 "112621-Mix-Std-pos.mzML" 0.950947358208986 5470 6436 6435 802.74474 149.023559570312 0.0990856511867104 802.8813 1 6436 TRUE +"4223" 693.181165098464 693.180908203125 693.181335449219 524.51703 512.774208 536.134206 126269518.64156 126266246.914207 6302692 10449 NA NA NA NA 38392 0 7 654 647 661 641 667 1 4536 "112621-Mix-Std-pos.mzML" 1 3620 4277 4272 527.222316 693.180908203125 0.370603460867395 527.87229 1 4277 TRUE +"225" 113.963977856763 113.963935852051 113.96403503418 637.32966 630.10008 643.68042 28209601.016988 28209586.531292 2126513 2126512 NA NA NA NA 37820 0 5 779 774 784 771 786 1 3543 "112621-Mix-Std-pos.mzML" 0.82010562204828 4336 5113 5112 635.53026 113.963996887207 0.166986486249857 635.7027 1 5113 TRUE +"357" 116.962178928027 116.962158203125 116.962203979492 516.454506 508.307076 521.848482 34226784.7591508 34226770.3149844 2563026.5 2563026 NA NA NA NA 37831 0 3 645 642 648 636 651 1 3655 "112621-Mix-Std-pos.mzML" 0.359874287065227 3539 4183 4181 515.475258 116.96216583252 0.111963603647142 515.80995 1 4183 FALSE +"3994" 610.184961506751 610.182250976562 610.18603515625 755.8023 728.0274 791.62044 90268811.1756026 89873098.1237361 3946269 414 NA NA NA NA 38368 0 15 912 897 927 95 169 1 4493 "112621-Mix-Std-pos.mzML" 0.634020511406054 5040 5934 5931 741.43536 610.185424804688 0.759274589402576 741.84324 1 5934 TRUE +"2641" 374.053783752847 374.053619384766 374.053924560547 68.372388 61.866096 73.366812 10612101.8829139 10612089.5607182 1005393.75 1005393 NA NA NA NA 38257 0 3 128 125 131 120 134 1 3976 "112621-Mix-Std-pos.mzML" 0.326176609350348 452 581 576 69.131742 374.053924560547 0.376437041511877 69.705546 1 581 FALSE +"1259" 195.087832063833 195.087799072266 195.087921142578 285.24963 280.127796 290.160234 2240665405.13667 2239910904.40754 799110400 13533 NA NA NA NA 35267 0 3 382 379 385 376 388 1 2743 "112621-Mix-Std-pos.mzML" 0.777089322217041 1990 2376 2375 288.479358 195.087890625 0.300178470621668 288.617286 1 2376 TRUE +"2247" 327.078686752695 327.07861328125 327.078735351562 329.251866 318.071964 338.639574 32206344.5516498 32066065.9957331 1750592.25 189 NA NA NA NA 38225 0 5 433 428 438 420 444 1 3923 "112621-Mix-Std-pos.mzML" 0.84234845348595 2270 2702 2697 328.502592 327.078735351562 0.148584636587005 328.99143 1 2702 TRUE +"4384" 710.207880512326 710.207641601562 710.211791992188 35.937783 20.2441728 51.7259328 144319527.986323 144319496.504563 7153124.5 7153124 NA NA NA NA 38402 0 23 88 65 111 66 108 1 4660 "112621-Mix-Std-pos.mzML" 1 130 206 205 26.947614 710.2080078125 0.17924353858056 27.091191 1 206 TRUE +"4401" 710.207638333574 710.207397460938 710.207946777344 275.757876 270.465306 281.004792 77863771.0065091 77863759.5887326 8063451 8063450 NA NA NA NA 38402 0 3 371 368 374 365 377 1 4695 "112621-Mix-Std-pos.mzML" 1 1907 2279 2277 276.606558 710.207397460938 0.33915804810756 276.886278 1 2279 TRUE +"4409" 710.207821165251 710.207641601562 710.2080078125 418.433382 412.955484 423.787032 66393082.797041 66393071.062864 6504401.5 6504400 NA NA NA NA 38402 0 3 535 532 538 529 541 1 4674 "112621-Mix-Std-pos.mzML" 1 2885 3420 3418 418.433382 710.207885742188 0.0909268169505335 418.669536 1 3420 TRUE +"736" 144.982386014974 144.982360839844 144.982421875 463.394352 459.868926 466.161846 9434161.37134283 9434154.17943426 1738545.5 1738544 NA NA NA NA 37944 0 3 586 583 589 582 589 1 3773 "112621-Mix-Std-pos.mzML" 0.67473047416633 3191 3777 3775 463.394352 144.982360839844 0.17364268148378 463.634046 1 3777 TRUE +"354" 116.962147021599 116.96208190918 116.962203979492 126.713472 115.7295 133.414992 76904626.540291 76904608.0126328 4405880 4405879 NA NA NA NA 37831 0 5 198 193 203 185 206 1 3635 "112621-Mix-Std-pos.mzML" 0.346803879146968 905 1110 1108 132.653454 116.962173461914 0.226058738631332 132.86775 1 1110 FALSE +"336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.373202077555698 3252 3848 3845 472.384992 116.96215057373 0.100887331640132 472.746858 1 3848 FALSE +"4400" 710.207968051065 710.207885742188 710.208129882812 610.96128 607.36614 615.54048 36795343.7435601 36795334.6609601 4733690 4733689 NA NA NA NA 38402 0 3 750 747 753 746 755 1 4704 "112621-Mix-Std-pos.mzML" 1 4186 4938 4937 612.80958 710.207946777344 0.0299542138581149 612.95316 1 4938 TRUE +"4406" 710.207752895201 710.207580566406 710.208068847656 409.42371 405.96453 412.955484 42947349.4388729 42947341.5740497 7164001 7164000 NA NA NA NA 38402 0 3 525 522 528 521 529 1 4698 "112621-Mix-Std-pos.mzML" 1 2837 3364 3362 411.31788 710.208068847656 0.444873284019562 411.540048 1 3364 TRUE +"731" 144.982385948211 144.982345581055 144.982421875 304.91706 298.828638 309.36126 14360564.3475178 14360552.9371773 1481448.75 1472165 NA NA NA NA 37944 0 3 405 402 408 398 410 1 3758 "112621-Mix-Std-pos.mzML" 0.579374158518039 2071 2470 2466 299.664606 144.982391357422 0.0373094320247249 300.155676 1 2470 TRUE +"4557" 715.163245994593 715.162841796875 715.163635253906 168.490284 153.922452 205.637148 155371922.803392 155371870.226785 3931852.25 3619950 NA NA NA NA 38407 0 9 247 238 256 230 290 1 4799 "112621-Mix-Std-pos.mzML" 1 1246 1508 1507 181.354044 715.1630859375 0.223804975869056 181.497762 1 1508 TRUE +"4996" 1402.38128314528 1402.38098144531 1402.38171386719 750.79302 745.90356 755.0475 259974026.717928 259943611.776948 78667160 12167 NA NA NA NA 38452 0 3 905 902 908 147 159 1 4983 "112621-Mix-Std-pos.mzML" 1 5134 6044 6043 754.30062 1402.38171386719 0.307136092412757 754.4526 1 6044 TRUE +"4098" 661.229136209068 661.228942871094 661.230773925781 756.64734 752.1678 761.94114 23637947.4303767 23599788.3578963 6671839.5 463 NA NA NA NA 38376 0 3 913 910 916 100 112 1 4501 "112621-Mix-Std-pos.mzML" 1 5142 6053 6050 755.0475 661.229309082031 0.261441841193373 755.36622 1 6053 TRUE +"760" 144.982397984665 144.982376098633 144.982421875 677.67456 669.31818 681.3981 14526905.1981542 14526892.1890096 1475355.125 1475354 NA NA NA NA 37944 0 3 823 820 826 814 827 1 3753 "112621-Mix-Std-pos.mzML" 0.642280797591784 4578 5395 5392 672.19974 144.982391357422 0.0457106733708016 672.5997 1 5395 TRUE +"325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.407601158558771 1186 1438 1437 172.739286 116.962158203125 0.180932312010379 172.875858 1 1438 FALSE +"4406" 710.207752895201 710.207580566406 710.208068847656 409.42371 405.96453 412.955484 42947349.4388729 42947341.5740497 7164001 7164000 NA NA NA NA 38402 0 3 525 522 528 521 529 1 4698 "112621-Mix-Std-pos.mzML" 1 2807 3329 3327 406.774884 710.207641601562 0.156705749732615 407.011398 1 3329 TRUE +"227" 113.963941071017 113.963912963867 113.963958740234 384.725832 379.585746 393.565728 67986360.4266132 67986345.5728823 5275277 5055502 NA NA NA NA 37820 0 3 497 494 500 491 507 1 3542 "112621-Mix-Std-pos.mzML" 1 2680 3181 3180 388.244604 113.963958740234 0.155042178158919 388.380354 1 3181 TRUE +"4371" 710.207915078387 710.207824707031 710.2080078125 152.201832 148.811682 159.017412 60563212.2858543 60563201.2296468 7517159 6793940 NA NA NA NA 38402 0 3 228 225 231 224 236 1 4694 "112621-Mix-Std-pos.mzML" 1 1067 1299 1297 155.683884 710.207946777344 0.0446333469261991 155.91084 1 1299 TRUE +"316" 116.962201680586 116.962181091309 116.962219238281 688.87824 684.18426 693.46494 20469225.1182179 20469214.9094699 2075236.75 2075236 NA NA NA NA 37831 0 3 835 832 838 830 840 1 3671 "112621-Mix-Std-pos.mzML" 0.338380938885308 4703 5541 5539 691.61142 116.962211608887 0.0848846947262595 691.8819 1 5541 FALSE +"3155" 396.067369767109 396.067138671875 396.068908691406 26.117982 20.2441728 41.523807 24577829.8047458 24577808.5251116 1684485.25 1684484 NA NA NA NA 38298 0 7 75 68 82 66 95 1 4352 "112621-Mix-Std-pos.mzML" 0.228430081364901 123 197 191 25.2168768 396.067443847656 0.187040269309961 25.9998774 1 197 FALSE +"336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.363408770179544 3376 3993 3992 491.188692 116.962142944336 0.166116927061528 491.324448 1 3993 FALSE +"4229" 693.181102944433 693.180603027344 693.181396484375 329.251866 307.578918 343.708554 253149088.295912 253144099.489649 9107625 15100 NA NA NA NA 38392 0 21 433 412 454 408 450 1 4528 "112621-Mix-Std-pos.mzML" 1 2182 2600 2599 316.424484 693.181335449219 0.335417085766935 316.568112 1 2600 TRUE +"3998" 611.185654776182 611.183288574219 611.186157226562 755.8023 727.14594 791.62044 51758849.5384146 51677611.5011119 2364935.5 491 NA NA NA NA 38369 0 15 912 897 927 92 167 1 4494 "112621-Mix-Std-pos.mzML" 0.359279940144375 5219 6143 6141 766.3473 611.186096191406 0.722227723412722 766.62492 1 6143 FALSE +"240" 113.963971837622 113.96395111084 113.964004516602 23.072232 20.9739168 28.346406 78716833.1900279 78716825.8175387 15646300 15646299 NA NA NA NA 37820 0 3 71 68 74 68 78 1 3521 "112621-Mix-Std-pos.mzML" 1 137 214 212 27.67011 113.963981628418 0.0859113270509178 27.877479 1 214 TRUE +"20" 103.955754309517 103.95573425293 103.955780029297 553.95906 548.665956 560.076294 14373521.644514 14373509.3564577 1420826.875 1420826 NA NA NA NA 37798 0 3 687 684 690 681 694 1 3409 "112621-Mix-Std-pos.mzML" 0.86348155153168 3800 4487 4482 553.95906 103.955764770508 0.100629258166757 554.52915 1 4487 TRUE +"336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.15157919886541 3363 3977 3971 488.42733 116.962173461914 0.0948014546240532 489.17445 1 3977 FALSE +"4373" 710.207782799929 710.207458496094 710.208068847656 219.103968 187.423992 254.83425 517046609.341661 517046541.067169 13950125 13950124 NA NA NA NA 38402 0 19 306 287 325 269 347 1 4661 "112621-Mix-Std-pos.mzML" 1 1702 2040 2039 246.991656 710.207885742188 0.144946676978875 247.135338 1 2040 TRUE +"4227" 693.181099185288 693.180786132812 693.181457519531 782.88768 757.56852 789.80868 336913447.584142 336908981.84914 15591062 20983 NA NA NA NA 38392 0 5 943 938 948 914 951 1 4554 "112621-Mix-Std-pos.mzML" 1 5182 6100 6099 761.15934 693.181091308594 0.011363111797728 761.30298 1 6100 TRUE +"4386" 710.207885448854 710.207702636719 710.208129882812 602.86446 599.113272 607.36614 39322610.2603795 39322601.0905262 4973567 4973566 NA NA NA NA 38402 0 3 741 738 744 737 746 1 4679 "112621-Mix-Std-pos.mzML" 1 4150 4896 4895 607.36614 710.208129882812 0.344172408260825 607.51008 1 4896 TRUE +"1158" 181.049905887963 181.049850463867 181.04997253418 297.169194 291.949002 302.389542 24728891.380253 24712502.3002657 7461554 1428 NA NA NA NA 15435 0 3 396 393 399 101 113 1 1012 "112621-Mix-Std-pos.mzML" 0.788013803007409 2040 2434 2431 295.317858 181.049850463867 0.306126070298489 295.827492 1 2434 TRUE +"2885" 383.059439897912 383.058959960938 383.059692382812 180.522438 171.877686 190.116966 9165795.31229356 9165776.20447642 624281.3125 624280 NA NA NA NA 38271 1 7 261 254 268 251 272 1 4214 "112621-Mix-Std-pos.mzML" 0.418564603804626 1257 1520 1514 182.197212 383.059631347656 0.499791219753426 182.949402 1 1520 FALSE +"2060" 303.050314920609 303.050231933594 303.050415039062 338.639574 333.568596 343.708554 50766097.2318378 50345859.7428433 14614954 320 NA NA NA NA 21377 0 3 444 441 447 110 122 1 1462 "112621-Mix-Std-pos.mzML" 1 2331 2773 2767 337.003992 303.050262451172 0.173137709089927 337.715334 1 2773 TRUE +"238" 113.963921810091 113.963897705078 113.963958740234 273.211956 265.202904 281.004792 88385887.0477654 88385870.3679948 5822680.5 5822680 NA NA NA NA 37820 0 5 368 363 373 359 377 1 3545 "112621-Mix-Std-pos.mzML" 1 1894 2264 2263 274.911558 113.963905334473 0.144568719690639 275.047296 1 2264 TRUE +"4219" 693.181138297036 693.180908203125 693.181335449219 492.9333 492.052896 510.062322 99371586.8515606 99369036.4823449 6344564.5 10758 NA NA NA NA 38392 0 9 619 610 628 618 638 1 4531 "112621-Mix-Std-pos.mzML" 1 3409 4031 4027 495.637944 693.181213378906 0.108314936106259 496.160052 1 4031 TRUE +"329" 116.962124146082 116.962104797363 116.96216583252 111.6063 106.589628 115.7295 42821655.3060241 42821645.3352546 4449985.5 4440574 NA NA NA NA 37831 0 3 180 177 183 174 185 1 3660 "112621-Mix-Std-pos.mzML" 0.415386743717238 744 922 919 109.899096 116.962120056152 0.0349679797765626 110.248374 1 922 FALSE +"4377" 710.207917362056 710.207641601562 710.208129882812 145.303482 141.988224 148.811682 43046662.0338192 43046654.357429 6733165.5 6733164 NA NA NA NA 38402 0 3 220 217 223 216 224 1 4693 "112621-Mix-Std-pos.mzML" 1 1021 1245 1241 148.811682 710.2080078125 0.127357695577025 149.334606 1 1245 TRUE +"4396" 710.208062830601 710.2080078125 710.208190917969 721.36992 717.16692 728.87604 196096142.030539 196096129.485053 22701068 22701067 NA NA NA NA 38402 0 3 871 868 874 866 880 1 4676 "112621-Mix-Std-pos.mzML" 1 4918 5792 5791 723.8043 710.208068847656 0.00847224283342838 723.9483 1 5792 TRUE +"354" 116.962147021599 116.96208190918 116.962203979492 126.713472 115.7295 133.414992 76904626.540291 76904608.0126328 4405880 4405879 NA NA NA NA 37831 0 5 198 193 203 185 206 1 3635 "112621-Mix-Std-pos.mzML" 0.348384173895008 821 1012 1010 120.833574 116.962127685547 0.165318885268191 121.080978 1 1012 FALSE +"341" 116.962152879415 116.962120056152 116.962173461914 546.03624 541.61034 550.489806 22668285.5276074 22668275.7601948 2470069.25 2470068 NA NA NA NA 37831 0 3 678 675 681 673 683 1 3669 "112621-Mix-Std-pos.mzML" 0.356746011005964 3713 4386 4384 541.61034 116.96216583252 0.110746121921202 541.822764 1 4386 FALSE +"349" 116.962171549122 116.96215057373 116.962203979492 23.072232 20.9739168 31.342587 138659625.201728 138659614.833058 22391264 22391263 NA NA NA NA 37831 0 3 71 68 74 68 82 1 3623 "112621-Mix-Std-pos.mzML" 0.361467695559126 91 160 156 21.743979 116.962203979492 0.277272301515856 22.1579112 1 160 FALSE +"2192" 325.228070675061 325.227813720703 325.228393554688 463.394352 454.516188 472.384992 3180386.16289659 3002538.85012479 454465.84375 29 NA NA NA NA 25956 1 5 586 581 591 103 123 1 1573 "112621-Mix-Std-pos.mzML" 0.769160437466468 3182 3766 3761 461.547414 325.227935791016 0.414736787635341 462.202116 1 3766 TRUE +"746" 144.982384778599 144.982360839844 144.982421875 403.283502 398.836758 408.509862 15082648.4160908 15082637.8636137 1677663.5 1624507 NA NA NA NA 37944 0 3 518 515 521 513 524 1 3762 "112621-Mix-Std-pos.mzML" 0.710120678540077 2783 3301 3299 403.283502 144.982360839844 0.165114920297425 403.530534 1 3301 TRUE +"203" 113.963922058726 113.963874816895 113.96395111084 553.95906 539.728242 570.959748 95293093.2651581 95293061.1413234 3581952 3581951 NA NA NA NA 37820 0 9 687 678 696 671 706 1 3525 "112621-Mix-Std-pos.mzML" 0.943022187135054 3748 4427 4426 546.946512 113.963928222656 0.0540866813414404 547.082268 1 4427 TRUE +"603" 128.950973211022 128.950942993164 128.95100402832 26.947614 20.9739168 38.256057 25223656.1741234 24070385.2043973 1843882.25 17 NA NA NA NA 35357 0 7 76 69 83 68 91 1 2793 "112621-Mix-Std-pos.mzML" 0.501191998802482 205 293 289 35.937783 128.950988769531 0.120654450220799 36.4187538 1 293 TRUE +"325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.400606618669895 1060 1291 1290 154.791828 116.962158203125 0.180932312010379 154.928394 1 1291 FALSE +"3218" 403.233097391868 403.230987548828 403.234405517578 735.94002 732.43626 747.75258 4370259.67311466 4362788.10924593 1639220.75 486 NA NA NA NA 34396 2 9 888 879 897 99 116 1 2384 "112621-Mix-Std-pos.mzML" 1 4993 5879 5875 734.22564 403.233459472656 0.897944118372502 734.71386 1 5879 TRUE +"4201" 693.181063963467 693.180847167969 693.181396484375 409.42371 405.96453 412.955484 49712132.5319995 49711071.8068784 7844190 13005 NA NA NA NA 38392 0 3 525 522 528 521 529 1 4559 "112621-Mix-Std-pos.mzML" 1 2822 3346 3341 408.509862 693.181030273438 0.0486020632420433 409.163766 1 3346 TRUE +"2738" 375.553885959998 375.553558349609 375.554443359375 777.71676 758.39742 782.00022 8997499.82843472 8997475.35145695 560726.9375 469660 NA NA NA NA 38261 1 5 937 932 942 915 942 1 4118 "112621-Mix-Std-pos.mzML" 0.240419118927225 5295 6231 6225 776.85078 375.553649902344 0.628558677587231 777.59436 1 6231 FALSE +"4383" 710.207817864426 710.207702636719 710.207885742188 303.264486 296.314356 307.578918 66079925.1341575 66079913.0030907 6845788 6845787 NA NA NA NA 38402 0 3 403 400 406 395 408 1 4696 "112621-Mix-Std-pos.mzML" 1 2077 2477 2473 300.53421 710.207885742188 0.0955745061646433 301.085634 1 2477 TRUE +"3734" 526.432357092137 526.43212890625 526.432922363281 753.60036 748.67412 760.16316 15767541.1307947 15539392.8144721 2453806.5 111 NA NA NA NA 38357 1 3 909 906 912 315 330 1 4476 "112621-Mix-Std-pos.mzML" 0.740326171193344 5127 6035 6029 752.91954 526.43212890625 0.43345718377601 753.48924 1 6035 TRUE +"4529" 715.163129783174 715.163024902344 715.163330078125 451.892196 447.570012 455.334072 18093555.7513041 18093547.1245708 2544287.25 2544286 NA NA NA NA 38407 0 3 573 570 576 568 577 1 4833 "112621-Mix-Std-pos.mzML" 1 3132 3708 3705 454.516188 715.163146972656 0.0240357502534499 454.848828 1 3708 TRUE +"4549" 715.163017890669 715.162902832031 715.163146972656 481.283196 476.768292 485.760828 21805964.239036 21805954.3472464 2565679.5 2565678 NA NA NA NA 38407 0 3 606 603 609 601 611 1 4816 "112621-Mix-Std-pos.mzML" 1 3319 3926 3922 482.211798 715.163024902344 0.00980430238740931 482.675154 1 3926 TRUE +"4223" 693.181165098464 693.180908203125 693.181335449219 524.51703 512.774208 536.134206 126269518.64156 126266246.914207 6302692 10449 NA NA NA NA 38392 0 7 654 647 661 641 667 1 4536 "112621-Mix-Std-pos.mzML" 1 3577 4227 4223 520.947258 693.181091308594 0.106451060356064 521.45874 1 4227 TRUE +"4544" 715.163200284316 715.163024902344 715.163513183594 602.86446 598.207896 607.36614 17742838.605928 17742828.5318596 2103129.5 2103128 NA NA NA NA 38407 0 3 741 738 744 736 746 1 4804 "112621-Mix-Std-pos.mzML" 1 4115 4855 4853 601.92624 715.163146972656 0.0745447471552536 602.20602 1 4855 TRUE +"341" 116.962152879415 116.962120056152 116.962173461914 546.03624 541.61034 550.489806 22668285.5276074 22668275.7601948 2470069.25 2470068 NA NA NA NA 37831 0 3 678 675 681 673 683 1 3669 "112621-Mix-Std-pos.mzML" 0.0461807201175336 3753 4432 4426 546.946512 116.96215057373 0.0197130795115172 547.686042 1 4432 FALSE +"2758" 375.553700449054 375.553375244141 375.553894042969 50.186412 40.6209354 55.077309 13705975.9238518 13705960.6643464 1238968.5 1238968 NA NA NA NA 38261 1 3 106 103 109 94 112 1 4104 "112621-Mix-Std-pos.mzML" 0.276863979044667 270 369 366 44.75448 375.553680419922 0.0533322728682892 45.0684414 1 369 FALSE +"3608" 478.179000802392 478.178558349609 478.179473876953 725.487 722.09304 729.74796 2700150.2721944 2693148.65047637 995217.1875 241 NA NA NA NA 34103 1 3 876 873 879 99 108 1 2298 "112621-Mix-Std-pos.mzML" 0.695086863750608 4929 5804 5798 724.6323 478.179046630859 0.095839565458612 725.3691 1 5804 TRUE +"771" 145.028648483319 145.028594970703 145.028732299805 297.169194 291.949002 302.389542 3887129.69515261 3883998.87547481 1167153.125 594 NA NA NA NA 14631 0 3 396 393 399 100 112 1 982 "112621-Mix-Std-pos.mzML" 0.393714989260293 2047 2442 2438 296.314356 145.02864074707 0.0533428965523214 296.792094 1 2442 FALSE +"326" 116.962165700053 116.96215057373 116.962181091309 306.69057 298.828638 311.092062 36856983.9316114 36856970.7922285 3117101.5 3117100 NA NA NA NA 37831 0 3 407 404 410 398 412 1 3637 "112621-Mix-Std-pos.mzML" 0.381191631144827 2143 2554 2550 310.268844 116.962188720703 0.19682133580974 310.711464 1 2554 FALSE +"2724" 375.553530333328 375.553344726562 375.553771972656 35.1419298 27.67011 40.6209354 16652452.5036392 16652438.7910005 1456899.75 1430680 NA NA NA NA 38261 1 3 87 84 90 77 94 1 4109 "112621-Mix-Std-pos.mzML" 0.240662034018011 228 320 317 39.1127064 375.553436279297 0.25044107871336 39.443838 1 320 FALSE +"318" 116.962207404002 116.962181091309 116.962226867676 625.42986 616.5267 631.87326 34907277.5898778 34907261.340579 2300913 2300912 NA NA NA NA 37831 0 5 766 761 771 756 773 1 3657 "112621-Mix-Std-pos.mzML" 0.16514448188638 4236 4996 4993 620.12328 116.962211608887 0.0359507953040458 620.47716 1 4996 FALSE +"4197" 693.181002425239 693.180908203125 693.18115234375 481.283196 476.768292 486.6189 60654496.8284314 60653047.5044273 6630534 10993 NA NA NA NA 38392 0 3 606 603 609 601 612 1 4542 "112621-Mix-Std-pos.mzML" 1 3334 3944 3943 484.883274 693.181335449219 0.480428601823915 485.026848 1 3944 TRUE +"3155" 396.067369767109 396.067138671875 396.068908691406 26.117982 20.2441728 41.523807 24577829.8047458 24577808.5251116 1684485.25 1684484 NA NA NA NA 38298 0 7 75 68 82 66 95 1 4352 "112621-Mix-Std-pos.mzML" 0.256966613612759 224 315 310 38.256057 396.067443847656 0.187040269309961 38.86194 1 315 FALSE +"26" 103.955784176812 103.955764770508 103.95580291748 470.591226 466.161846 474.95445 11230265.0933299 11230255.4214655 1261480.5 1261480 NA NA NA NA 37798 0 3 594 591 597 589 599 1 3445 "112621-Mix-Std-pos.mzML" 0.93028838226553 3226 3818 3817 468.765324 103.955795288086 0.106884610298071 468.901074 1 3818 TRUE +"1867" 282.279710845217 282.279632568359 282.279815673828 785.50848 780.32148 790.71504 78406181.3093126 78349103.2808207 18704088 3158 NA NA NA NA 38205 0 3 946 943 949 940 952 1 3894 "112621-Mix-Std-pos.mzML" 1 5334 6277 6274 782.88768 282.279754638672 0.155142056252919 783.25506 1 6277 TRUE +"4219" 693.181138297036 693.180908203125 693.181335449219 492.9333 492.052896 510.062322 99371586.8515606 99369036.4823449 6344564.5 10758 NA NA NA NA 38392 0 9 619 610 628 618 638 1 4531 "112621-Mix-Std-pos.mzML" 1 3472 4105 4104 505.459206 693.180908203125 0.331939081768112 505.704828 1 4105 TRUE +"244" 113.96394140516 113.963905334473 113.963966369629 501.017148 493.843572 509.20257 58011465.1055633 58011448.8430949 3981310.25 3981309 NA NA NA NA 37820 0 5 628 623 633 620 637 1 3554 "112621-Mix-Std-pos.mzML" 0.959145049620075 3460 4091 4090 503.70723 113.963905334473 0.316509651076679 503.84298 1 4091 TRUE +"4561" 715.16318590281 715.162780761719 715.166748046875 26.117982 20.2441728 39.907035 19529847.7562113 19529828.0933491 1544423.875 1321840 NA NA NA NA 38407 0 13 75 62 88 66 93 1 4802 "112621-Mix-Std-pos.mzML" 1 169 251 247 31.342587 715.163146972656 0.0544353437915362 31.844268 1 251 TRUE +"4405" 710.207819658852 710.207763671875 710.207946777344 677.67456 672.19974 684.18426 45189219.9174853 45189207.0110791 4370560.5 4370560 NA NA NA NA 38402 0 3 823 820 826 817 830 1 4681 "112621-Mix-Std-pos.mzML" 1 4607 5429 5427 676.7544 710.207946777344 0.178987738319536 677.01576 1 5429 TRUE +"4394" 710.207955560318 710.207702636719 710.208435058594 577.346844 566.453892 586.468944 89503682.7688309 89503661.8440038 5584779.5 5584778 NA NA NA NA 38402 0 7 713 706 720 701 723 1 4684 "112621-Mix-Std-pos.mzML" 1 3934 4644 4643 574.682094 710.207946777344 0.0123667636997775 574.825998 1 4644 TRUE +"337" 116.962190526974 116.96215057373 116.962249755859 585.499998 568.24977 600.93324 75333619.5975388 75333586.0061947 2396871.75 2396871 NA NA NA NA 37831 0 5 722 717 727 703 739 1 3631 "112621-Mix-Std-pos.mzML" 0.356354740197624 4052 4781 4776 591.93192 116.96223449707 0.375934277688402 592.578948 1 4781 FALSE +"321" 116.96213006885 116.962089538574 116.962158203125 556.55259 550.489806 560.971284 26723208.8019777 26723197.4470432 2572019.75 2572019 NA NA NA NA 37831 0 3 690 687 693 683 695 1 3638 "112621-Mix-Std-pos.mzML" 0.34067993311614 3796 4483 4482 553.95906 116.962089538574 0.346524770794113 554.09562 1 4483 FALSE +"3617" 482.405824418743 482.405670166016 482.405975341797 754.30062 750.14112 760.16316 16760278.8272344 16760268.8051944 2687489.25 2687488 NA NA NA NA 38347 0 3 910 907 913 99 112 1 4467 "112621-Mix-Std-pos.mzML" 1 5124 6032 6029 752.91954 482.40576171875 0.129973540724783 753.23832 1 6032 TRUE +"4198" 693.180946975174 693.180786132812 693.18115234375 798.45294 789.80868 803.67708 141158726.268787 141156855.844011 13496757 22377 NA NA NA NA 38392 0 5 961 956 966 951 967 1 4534 "112621-Mix-Std-pos.mzML" 1 5411 6367 6365 794.25552 693.180908203125 0.0559335184190779 794.48412 1 6367 TRUE +"2525" 363.310784904212 363.309936523438 363.311645507812 746.87286 738.7026 749.46408 2788999.412595 2766190.20927682 720817.3125 74 NA NA NA NA 35306 3 3 900 897 903 99 111 1 2770 "112621-Mix-Std-pos.mzML" 0.702424075098267 5077 5977 5973 746.87286 363.309936523438 2.33513787614434 747.35994 1 5977 TRUE +"202" 113.963984012205 113.96395111084 113.963996887207 623.66706 615.54048 629.17938 30680982.6469851 30680968.0988251 2398925 2266721 NA NA NA NA 37820 0 3 764 761 767 755 770 1 3535 "112621-Mix-Std-pos.mzML" 0.829495935580782 4228 4987 4986 619.2072 113.964019775391 0.313811300009125 619.34298 1 4987 TRUE +"2738" 375.553885959998 375.553558349609 375.554443359375 777.71676 758.39742 782.00022 8997499.82843472 8997475.35145695 560726.9375 469660 NA NA NA NA 38261 1 5 937 932 942 915 942 1 4118 "112621-Mix-Std-pos.mzML" 0.311839878054178 5196 6116 6113 762.79224 375.554168701172 0.752864461728282 763.1889 1 6116 FALSE +"4378" 710.207746818945 710.207702636719 710.207885742188 647.31798 642.80586 652.83624 41760818.7419511 41760807.7997183 4581546 4581545 NA NA NA NA 38402 0 3 790 787 793 785 796 1 4680 "112621-Mix-Std-pos.mzML" 1 4438 5232 5231 650.92824 710.207763671875 0.0237295784689403 651.15312 1 5232 TRUE +"4557" 715.163245994593 715.162841796875 715.163635253906 168.490284 153.922452 205.637148 155371922.803392 155371870.226785 3931852.25 3619950 NA NA NA NA 38407 0 9 247 238 256 230 290 1 4799 "112621-Mix-Std-pos.mzML" 1 1307 1579 1577 190.116966 715.163146972656 0.138460606465512 190.39005 1 1579 TRUE +"4395" 710.207501813508 710.207336425781 710.207641601562 286.136058 281.004792 290.160234 105367239.090808 105367229.103053 19042692 19042691 NA NA NA NA 38402 0 3 383 380 386 377 388 1 4662 "112621-Mix-Std-pos.mzML" 1 1993 2379 2375 288.479358 710.207641601562 0.196827060094781 288.927666 1 2379 TRUE +"4859" 1007.44621734174 1007.44525146484 1007.447265625 767.99604 755.8023 774.15558 9681968.20501425 9503764.70121942 1607915.125 31 NA NA NA NA 36806 2 3 926 923 929 170 191 1 3191 "112621-Mix-Std-pos.mzML" 1 5175 6091 6085 759.27156 1007.44592285156 0.292313548037827 760.04406 1 6091 TRUE +"882" 153.138870788979 153.138793945312 153.13899230957 782.88768 722.96436 803.67708 35445816.7370842 34927908.8992459 640807.0625 37 NA NA NA NA 37973 0 21 943 922 964 849 943 1 3797 "112621-Mix-Std-pos.mzML" 0.516540177437987 5407 6362 6358 793.34184 153.138854980469 0.10322990052214 793.87206 1 6362 TRUE +"4218" 693.181236472157 693.181030273438 693.181701660156 577.346844 566.453892 585.499998 85888922.4496813 85886231.3891262 5590301 9268 NA NA NA NA 38392 0 7 713 706 720 701 722 1 4543 "112621-Mix-Std-pos.mzML" 1 3916 4623 4622 571.943166 693.181030273438 0.297467255502946 572.086938 1 4623 TRUE +"4533" 715.162979486936 715.162780761719 715.163208007812 218.284896 214.338342 224.22357 81049132.6504201 81049121.9414231 16450242 16450241 NA NA NA NA 38407 1 3 305 302 308 300 312 1 4792 "112621-Mix-Std-pos.mzML" 1 1516 1823 1822 219.903468 715.163024902344 0.0635035770693683 220.047054 1 1823 TRUE +"357" 116.962178928027 116.962158203125 116.962203979492 516.454506 508.307076 521.848482 34226784.7591508 34226770.3149844 2563026.5 2563026 NA NA NA NA 37831 0 3 645 642 648 636 651 1 3655 "112621-Mix-Std-pos.mzML" 0.365601970191466 3502 4140 4139 510.062322 116.96215057373 0.242422776025331 510.198924 1 4140 FALSE +"4388" 710.207750497219 710.207641601562 710.207885742188 79.91919 71.654064 86.464872 81481110.97787 81481095.3442393 6640350.5 6640350 NA NA NA NA 38402 0 5 142 137 147 132 150 1 4686 "112621-Mix-Std-pos.mzML" 1 521 662 660 79.109688 710.207702636719 0.0673894361792643 79.324356 1 662 TRUE +"330" 116.962187307174 116.962120056152 116.962242126465 711.9573 694.37538 722.96436 59256930.7473248 59256901.2649392 2293238.25 2293237 NA NA NA NA 37831 0 5 860 855 865 841 873 1 3627 "112621-Mix-Std-pos.mzML" 0.338081685249624 4750 5596 5595 699.04716 116.962196350098 0.0773149296323456 699.18378 1 5596 FALSE +"4535" 715.163095130512 715.163024902344 715.163208007812 648.25332 643.68042 652.83624 16205781.2571959 16205771.1857939 1871584.625 1871584 NA NA NA NA 38407 0 3 791 788 794 786 796 1 4824 "112621-Mix-Std-pos.mzML" 1 4450 5246 5245 652.83624 715.163146972656 0.0724899607157355 652.98 1 5246 TRUE +"1760" 269.042773364948 269.042572021484 269.043640136719 556.55259 553.95906 561.96939 2861952.05284991 2861944.93255657 982275.0625 982274 NA NA NA NA 26096 1 3 690 687 693 99 108 1 1650 "112621-Mix-Std-pos.mzML" 1 3813 4502 4496 555.62487 269.042572021484 0.748369715225105 556.431318 1 4502 TRUE +"318" 116.962207404002 116.962181091309 116.962226867676 625.42986 616.5267 631.87326 34907277.5898778 34907261.340579 2300913 2300912 NA NA NA NA 37831 0 5 766 761 771 756 773 1 3657 "112621-Mix-Std-pos.mzML" 0.359101788916216 4309 5081 5077 630.96348 116.962242126465 0.296869076536448 631.48086 1 5081 FALSE +"356" 116.96218000487 116.96216583252 116.962196350098 654.61218 649.13784 660.1842 24763769.4307899 24763757.4638999 2174903.5 2174902 NA NA NA NA 37831 0 3 798 795 801 792 804 1 3647 "112621-Mix-Std-pos.mzML" 0.398346242210742 4498 5302 5301 660.1842 116.962173461914 0.0559407848146722 660.31998 1 5302 FALSE +"50" 103.955807429283 103.955764770508 103.955841064453 94.057464 88.163646 101.549862 15312302.3563009 15312288.1334464 1196229.125 1196228 NA NA NA NA 37798 0 5 159 154 164 152 168 1 3429 "112621-Mix-Std-pos.mzML" 0.836634909856175 637 797 793 94.883898 103.955795288086 0.116791910931718 95.355804 1 797 TRUE +"2044" 301.14160734253 301.141540527344 301.141693115234 728.0274 722.96436 733.30494 20752630.7498147 20169384.0774737 5079689.5 64 NA NA NA NA 34967 0 3 879 876 882 404 416 1 2613 "112621-Mix-Std-pos.mzML" 1 4938 5815 5812 726.38172 301.141662597656 0.183485525351508 726.6765 1 5815 TRUE +"4569" 715.163196149444 715.162841796875 715.163513183594 140.230182 125.055276 153.922452 58956476.2654037 58956446.5491931 2785722 2412468 NA NA NA NA 38407 0 9 214 205 223 196 230 1 4808 "112621-Mix-Std-pos.mzML" 1 975 1191 1185 141.988224 715.163146972656 0.068763029598877 142.666506 1 1191 TRUE +"4222" 693.1811565857 693.181030273438 693.181274414062 432.596238 425.44404 439.699512 86951742.8323005 86949700.0389875 7466560.5 12379 NA NA NA NA 38392 0 5 551 546 556 543 559 1 4549 "112621-Mix-Std-pos.mzML" 1 3032 3591 3586 439.699512 693.181274414062 0.169982061711063 440.345142 1 3591 TRUE +"4214" 693.181157815947 693.178527832031 693.184814453125 36.7767408 14.605428 89.014944 388730004.956953 388721177.365676 8732336 14428 NA NA NA NA 38392 0 23 89 66 112 45 153 1 4520 "112621-Mix-Std-pos.mzML" 1 250 346 345 42.3008058 693.181213378906 0.0801564759103102 42.444459 1 346 TRUE +"225" 113.963977856763 113.963935852051 113.96403503418 637.32966 630.10008 643.68042 28209601.016988 28209586.531292 2126513 2126512 NA NA NA NA 37820 0 5 779 774 784 771 786 1 3543 "112621-Mix-Std-pos.mzML" 0.809921751680591 4372 5155 5154 640.95396 113.963966369629 0.100796182440037 641.18712 1 5155 TRUE +"2247" 327.078686752695 327.07861328125 327.078735351562 329.251866 318.071964 338.639574 32206344.5516498 32066065.9957331 1750592.25 189 NA NA NA NA 38225 0 5 433 428 438 420 444 1 3923 "112621-Mix-Std-pos.mzML" 0.831547939045293 2312 2751 2746 334.453266 327.078643798828 0.131325788894871 334.957266 1 2751 TRUE +"1409" 217.049928116644 217.049896240234 217.04997253418 553.95906 548.665956 559.185864 646074935.981345 646007115.415555 225960336 15375 NA NA NA NA 32724 0 3 687 684 690 99 111 1 1928 "112621-Mix-Std-pos.mzML" 0.941946188995637 3822 4513 4510 557.44899 217.04997253418 0.204642019945527 557.794098 1 4513 TRUE +"320" 116.962161221946 116.962097167969 116.962203979492 375.361122 370.950972 378.759876 22877810.4722578 22877801.7956978 2753876.25 2701291 NA NA NA NA 37831 0 3 486 483 489 481 490 1 3665 "112621-Mix-Std-pos.mzML" 0.147781780137948 2569 3051 3047 371.788596 116.962203979492 0.365567339235011 372.273156 1 3051 FALSE +"321" 116.96213006885 116.962089538574 116.962158203125 556.55259 550.489806 560.971284 26723208.8019777 26723197.4470432 2572019.75 2572019 NA NA NA NA 37831 0 3 690 687 693 683 695 1 3638 "112621-Mix-Std-pos.mzML" 0.350639715142826 3832 4525 4524 559.185864 116.962158203125 0.240541750145876 559.32162 1 4525 FALSE +"4212" 693.181115806899 693.180969238281 693.181274414062 245.236656 240.802224 251.32227 83431224.9267456 83429687.8567943 9645783 15992 NA NA NA NA 38392 0 3 336 333 339 331 343 1 4530 "112621-Mix-Std-pos.mzML" 1 1699 2036 2032 246.095598 693.181213378906 0.140759759292852 246.608172 1 2036 TRUE +"999" 163.061696084634 163.061660766602 163.061752319336 218.284896 215.201922 223.402842 11352550.933301 11352542.732381 4948623 4948622 NA NA NA NA 10856 0 3 305 302 308 99 109 1 713 "112621-Mix-Std-pos.mzML" 0.855334695871026 1500 1804 1801 217.599738 163.061676025391 0.12301628143283 217.89477 1 1804 TRUE +"349" 116.962171549122 116.96215057373 116.962203979492 23.072232 20.9739168 31.342587 138659625.201728 138659614.833058 22391264 22391263 NA NA NA NA 37831 0 3 71 68 74 68 82 1 3623 "112621-Mix-Std-pos.mzML" 0.0502018803013922 100 171 170 23.072232 116.96215057373 0.179334830614216 23.207979 1 171 FALSE +"690" 139.069646568111 139.069519042969 139.069793701172 285.24963 281.878662 290.160234 5226761.74482033 5219704.65176537 2068110.875 542 NA NA NA NA 13830 1 3 382 379 385 99 109 1 894 "112621-Mix-Std-pos.mzML" 0.247739119403296 1961 2342 2340 284.39058 139.069519042969 0.916987606114212 284.647428 1 2342 FALSE +"357" 116.962178928027 116.962158203125 116.962203979492 516.454506 508.307076 521.848482 34226784.7591508 34226770.3149844 2563026.5 2563026 NA NA NA NA 37831 0 3 645 642 648 636 651 1 3655 "112621-Mix-Std-pos.mzML" 0.359171228626857 3556 4203 4202 518.240832 116.962203979492 0.21418432729833 518.376594 1 4203 FALSE +"351" 116.962153738508 116.962120056152 116.962181091309 527.222316 521.848482 531.723432 25802047.4611736 25802036.6885009 2477386.75 2477386 NA NA NA NA 37831 0 3 657 654 660 651 662 1 3626 "112621-Mix-Std-pos.mzML" 0.367103383823734 3591 4243 4237 522.76761 116.962203979492 0.429549070374913 523.485042 1 4243 FALSE +"4409" 710.207821165251 710.207641601562 710.2080078125 418.433382 412.955484 423.787032 66393082.797041 66393071.062864 6504401.5 6504400 NA NA NA NA 38402 0 3 535 532 538 529 541 1 4674 "112621-Mix-Std-pos.mzML" 1 2848 3377 3376 412.955484 710.207824707031 0.00498696324706607 413.099058 1 3377 TRUE +"118" 105.954038616986 105.954032897949 105.954048156738 467.034066 462.462 474.046746 6764297.7668113 6764285.29093099 601622.75 601622 NA NA NA NA 37801 0 3 590 587 593 585 598 1 3501 "112621-Mix-Std-pos.mzML" 0.461404863825345 3229 3821 3817 468.765324 105.954040527344 0.0180300653092759 469.289544 1 3821 FALSE +"244" 113.96394140516 113.963905334473 113.963966369629 501.017148 493.843572 509.20257 58011465.1055633 58011448.8430949 3981310.25 3981309 NA NA NA NA 37820 0 5 628 623 633 620 637 1 3554 "112621-Mix-Std-pos.mzML" 1 3424 4049 4048 498.319692 113.963966369629 0.219055857604793 498.455448 1 4049 TRUE +"4538" 715.163124261445 715.162902832031 715.163269042969 236.424492 231.264216 240.802224 32229168.1325188 32229157.7274192 3904604.75 3857496 NA NA NA NA 38407 0 3 326 323 329 320 331 1 4827 "112621-Mix-Std-pos.mzML" 1 1612 1935 1934 233.80287 715.163146972656 0.0317566866943289 233.946498 1 1935 TRUE +"333" 116.962179849084 116.96215057373 116.962203979492 233.010894 226.823238 237.332574 32161734.5353591 32161723.1502451 2956433.25 2956432 NA NA NA NA 37831 0 3 322 319 325 315 327 1 3650 "112621-Mix-Std-pos.mzML" 0.37897570008794 1637 1964 1962 237.332574 116.962188720703 0.075850321260044 237.554676 1 1964 FALSE +"3696" 515.41368163303 515.413330078125 515.414001464844 726.38172 718.94454 733.30494 7564448.21161601 7564433.0064866 1092443.5 1092442 NA NA NA NA 35130 1 3 877 874 880 107 124 1 2672 "112621-Mix-Std-pos.mzML" 0.947142895459224 4935 5811 5805 725.487 515.413757324219 0.146855217408969 726.26424 1 5811 TRUE +"2168" 321.099292342745 321.098602294922 321.100128173828 447.570012 444.196242 452.75907 5157772.25993494 5157763.69710694 1535800.875 1535800 NA NA NA NA 21471 2 3 568 565 571 99 109 1 1480 "112621-Mix-Std-pos.mzML" 0.538202693679354 3077 3644 3642 446.710164 321.099151611328 0.438280058023901 446.970276 1 3644 TRUE +"2044" 301.14160734253 301.141540527344 301.141693115234 728.0274 722.96436 733.30494 20752630.7498147 20169384.0774737 5079689.5 64 NA NA NA NA 34967 0 3 879 876 882 404 416 1 2613 "112621-Mix-Std-pos.mzML" 1 4941 5818 5812 726.38172 301.141540527344 0.22187298215341 727.02792 1 5818 TRUE +"744" 144.982376836758 144.981811523438 144.982498168945 772.52448 721.36992 803.67708 88235714.21792 88235631.91076 1736307.5 1736306 NA NA NA NA 37944 0 27 931 904 958 871 967 1 3740 "112621-Mix-Std-pos.mzML" 0.75244911086206 5070 5969 5966 745.90356 144.982360839844 0.110336955773155 746.36394 1 5969 TRUE +"336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.158956765956764 3488 4123 4118 507.394704 116.962196350098 0.290490240888239 508.047108 1 4123 FALSE +"760" 144.982397984665 144.982376098633 144.982421875 677.67456 669.31818 681.3981 14526905.1981542 14526892.1890096 1475355.125 1475354 NA NA NA NA 37944 0 3 823 820 826 814 827 1 3753 "112621-Mix-Std-pos.mzML" 0.688148838142631 4619 5443 5441 678.59604 144.982406616211 0.0595351307723603 678.85428 1 5443 TRUE +"323" 116.962170026759 116.962135314941 116.962196350098 101.549862 95.702622 106.589628 53008744.699221 53008732.974753 4921296 4921295 NA NA NA NA 37831 0 3 168 165 171 161 174 1 3643 "112621-Mix-Std-pos.mzML" 0.405288095060366 682 850 849 101.549862 116.962158203125 0.101089384432003 101.68647 1 850 FALSE +"4373" 710.207782799929 710.207458496094 710.208068847656 219.103968 187.423992 254.83425 517046609.341661 517046541.067169 13950125 13950124 NA NA NA NA 38402 0 19 306 287 325 269 347 1 4661 "112621-Mix-Std-pos.mzML" 1 1414 1704 1703 205.637148 710.207702636719 0.112872898058903 205.811154 1 1704 TRUE +"96" 105.954002342051 105.953544616699 105.9541015625 773.43702 720.61788 803.67708 35689870.7961773 35689787.7369773 619203.375 611945 NA NA NA NA 37801 0 29 932 903 961 870 967 1 3458 "112621-Mix-Std-pos.mzML" 0.480868210901279 5366 6314 6309 787.25724 105.954025268555 0.216381666814569 787.91562 1 6314 FALSE +"4554" 715.163171953786 715.162963867188 715.163269042969 330.126066 324.137736 337.003992 29615306.0679683 29615292.3439619 2676208.25 2676207 NA NA NA NA 38407 0 3 434 431 437 427 442 1 4815 "112621-Mix-Std-pos.mzML" 1 2325 2766 2760 336.234444 715.162780761719 0.546996940653987 336.885024 1 2766 TRUE +"724" 144.982395507924 144.982330322266 144.982467651367 492.9333 471.499392 493.843572 31869991.7633098 31869968.5253626 1777349 1777348 NA NA NA NA 37944 0 23 619 596 642 595 620 1 3743 "112621-Mix-Std-pos.mzML" 0.680077546130043 3318 3925 3922 482.211798 144.982376098633 0.133873436936626 482.538702 1 3925 TRUE +"353" 116.962070178307 116.962043762207 116.962120056152 447.570012 441.663636 455.334072 38300715.366671 38300700.8418328 2924669.5 2924668 NA NA NA NA 37831 0 3 568 565 571 561 577 1 3634 "112621-Mix-Std-pos.mzML" 0.390954940870169 3089 3658 3656 448.413816 116.962059020996 0.0953925530278848 448.63959 1 3658 FALSE +"345" 116.962162298495 116.962127685547 116.962181091309 325.831794 317.183886 332.704716 44811484.9290062 44811468.5459079 2895603.5 2895602 NA NA NA NA 37831 0 5 429 424 434 419 437 1 3646 "112621-Mix-Std-pos.mzML" 0.170997818213982 2231 2657 2655 323.279886 116.962158203125 0.0350144818150785 323.524248 1 2657 FALSE +"333" 116.962179849084 116.96215057373 116.962203979492 233.010894 226.823238 237.332574 32161734.5353591 32161723.1502451 2956433.25 2956432 NA NA NA NA 37831 0 3 322 319 325 315 327 1 3650 "112621-Mix-Std-pos.mzML" 0.388124301267389 1595 1915 1913 231.264216 116.962173461914 0.0546088500908008 231.484956 1 1915 FALSE +"315" 116.962153856703 116.962127685547 116.962181091309 398.836758 391.803024 405.07398 37313813.6120921 37313799.4564057 2765079 2765078 NA NA NA NA 37831 0 5 513 508 518 505 520 1 3654 "112621-Mix-Std-pos.mzML" 0.377060842562987 2790 3309 3306 404.182914 116.962135314941 0.158527877415937 404.564766 1 3309 FALSE +"363" 117.06615127163 117.066093444824 117.066223144531 826.76058 811.6362 827.52336 2227091.34837253 2227075.46121253 216394.9375 253325 NA NA NA NA 39435 0 19 1062 1043 1081 99 145 1 5015 "112621-Mix-Std-pos.mzML" 0.501577545536358 5533 6577 6576 821.3265 117.066184997559 0.28809291771837 821.46228 1 6577 TRUE +"4551" 715.163331001494 715.163208007812 715.163513183594 721.36992 717.16692 726.38172 39355323.8724554 39355313.8199463 7341122 7341121 NA NA NA NA 38407 0 3 871 868 874 866 877 1 4807 "112621-Mix-Std-pos.mzML" 1 4926 5801 5798 724.6323 715.163391113281 0.0840532288039515 724.998 1 5801 TRUE +"2359" 338.342415387887 338.34228515625 338.342529296875 774.15558 768.8805 780.32148 29494100.2942123 29407572.0084953 6289671 475 NA NA NA NA 38233 0 3 933 930 936 117 130 1 3951 "112621-Mix-Std-pos.mzML" 1 5290 6226 6225 776.85078 338.342529296875 0.336667775481026 776.98938 1 6226 TRUE +"4196" 693.180748109645 693.18017578125 693.180908203125 286.85778 282.753732 294.468438 94229832.0999965 94228139.2888715 10422566 17280 NA NA NA NA 38392 0 3 384 381 387 379 393 1 4522 "112621-Mix-Std-pos.mzML" 1 1996 2383 2382 289.269234 693.180908203125 0.230954885490177 289.412808 1 2383 TRUE +"4168" 685.436849427727 685.436706542969 685.437133789062 787.25724 781.2234 792.41448 5086373.02392553 5086360.97199322 682564.375 682563 NA NA NA NA 38387 0 3 948 945 951 103 116 1 4515 "112621-Mix-Std-pos.mzML" 1 5361 6308 6302 786.3579 685.436828613281 0.0303666855816838 787.13532 1 6308 TRUE +"4209" 693.181111429756 693.180908203125 693.181335449219 199.63017 193.517442 208.319718 111944814.403049 111942700.592948 8256843 13689 NA NA NA NA 38392 0 3 283 280 286 276 293 1 4540 "112621-Mix-Std-pos.mzML" 1 1426 1718 1717 207.46059 693.181030273438 0.117078086408183 207.604164 1 1718 TRUE +"3307" 419.3162349862 419.315795898438 419.316436767578 744.13626 731.5659 750.79302 16958460.1925138 16874947.4731068 1278407.5 198 NA NA NA NA 38324 0 5 897 892 902 883 905 1 4444 "112621-Mix-Std-pos.mzML" 1 4974 5857 5854 731.5659 419.316253662109 0.0445389616290907 731.9277 1 5857 TRUE +"740" 144.982388160586 144.982284545898 144.982421875 328.502592 309.36126 329.251866 26682660.3653646 26682639.6099496 1721236.5 1721236 NA NA NA NA 37944 0 13 432 419 445 410 433 1 3746 "112621-Mix-Std-pos.mzML" 0.648422296532801 2197 2617 2613 318.071964 144.982406616211 0.127295635994399 318.532266 1 2617 TRUE +"347" 116.962140674009 116.962120056152 116.962188720703 252.182202 246.095598 257.402778 34943961.0916465 34943948.9146834 3034781.5 3034780 NA NA NA NA 37831 1 3 344 341 347 337 350 1 3636 "112621-Mix-Std-pos.mzML" 0.338496864399374 1750 2096 2095 253.99803 116.962135314941 0.0458188244008798 254.13378 1 2096 FALSE +"3064" 394.567539354393 394.567413330078 394.567718505859 125.852244 119.172618 133.414992 12457891.3010857 12457876.220925 979412.5 971216 NA NA NA NA 38294 0 5 197 192 202 189 206 1 4282 "112621-Mix-Std-pos.mzML" 0.212293954112007 843 1037 1031 123.31947 394.567443847656 0.242054216979728 124.06281 1 1037 FALSE +"2758" 375.553700449054 375.553375244141 375.553894042969 50.186412 40.6209354 55.077309 13705975.9238518 13705960.6643464 1238968.5 1238968 NA NA NA NA 38261 1 3 106 103 109 94 112 1 4104 "112621-Mix-Std-pos.mzML" 0.243676064489143 271 370 366 44.75448 375.553497314453 0.540893621700849 45.158085 1 370 FALSE +"765" 144.98238747247 144.982330322266 144.982452392578 527.222316 516.454506 537.957192 29920064.9133821 29920042.5147509 1840150.75 1840150 NA NA NA NA 37944 0 5 657 652 662 645 669 1 3752 "112621-Mix-Std-pos.mzML" 0.652444801021535 3682 4350 4349 537.047568 144.982345581055 0.28894141060302 537.184146 1 4350 TRUE +"230" 113.963944605279 113.963920593262 113.963973999023 427.318818 421.953708 434.39529 57313005.2856449 57312991.9553784 4844239 4844238 NA NA NA NA 37820 0 5 545 540 550 539 553 1 3553 "112621-Mix-Std-pos.mzML" 1 2921 3462 3460 423.787032 113.963928222656 0.143752685377672 424.00206 1 3462 TRUE +"4227" 693.181099185288 693.180786132812 693.181457519531 782.88768 757.56852 789.80868 336913447.584142 336908981.84914 15591062 20983 NA NA NA NA 38392 0 5 943 938 948 914 951 1 4554 "112621-Mix-Std-pos.mzML" 1 5256 6186 6183 771.64458 693.180969238281 0.187464728883757 772.01766 1 6186 TRUE +"44" 103.955785626988 103.955764770508 103.95581817627 461.547414 453.67107 466.161846 15768200.1568486 15768186.7738743 1283835.375 1219225 NA NA NA NA 37798 1 3 584 581 587 575 589 1 3444 "112621-Mix-Std-pos.mzML" 0.931497901837623 3190 3776 3775 463.394352 103.955780029297 0.0538468481061009 463.530102 1 3776 TRUE +"228" 113.963952980402 113.963928222656 113.963973999023 660.1842 651.91806 667.53198 27838657.7262212 27838641.1938353 1791889.375 1769985 NA NA NA NA 37820 0 3 804 801 807 795 812 1 3568 "112621-Mix-Std-pos.mzML" 0.805881918300974 4444 5239 5238 651.91806 113.963943481445 0.0833505369328365 652.05378 1 5239 TRUE +"328" 116.962162523988 116.962135314941 116.962211608887 35.937783 31.342587 39.907035 79008987.0513164 79008977.7082822 9638680 9459518 NA NA NA NA 37831 0 3 88 85 91 82 93 1 3659 "112621-Mix-Std-pos.mzML" 0.0638254028372667 216 306 303 37.4754324 116.962211608887 0.419664768282801 37.8305874 1 306 FALSE +"343" 116.962177541444 116.962158203125 116.962196350098 435.31416 431.67957 441.663636 27673466.3167321 27673455.4250237 2681825 2666344 NA NA NA NA 37831 0 3 554 551 557 550 561 1 3667 "112621-Mix-Std-pos.mzML" 0.369182861906838 3005 3560 3558 436.220064 116.962181091309 0.0303505309484292 436.43577 1 3560 FALSE +"721" 144.957097083879 144.957046508789 144.957138061523 23.072232 20.9739168 28.346406 19752237.5029948 19235332.5983328 5133153.5 41 NA NA NA NA 35242 0 3 71 68 74 68 78 1 2725 "112621-Mix-Std-pos.mzML" 0.228744096607564 121 195 191 25.2168768 144.957061767578 0.243632782918377 25.7757888 1 195 FALSE +"72" 105.954032079818 105.953979492188 105.954055786133 368.317854 364.767018 371.788596 4505385.04618906 4505377.14691381 632813.4375 632812 NA NA NA NA 37801 1 3 478 475 481 474 482 1 3459 "112621-Mix-Std-pos.mzML" 0.473566442326319 2538 3015 3012 367.408896 105.953979492188 0.496324960131431 367.80978 1 3015 FALSE +"4191" 693.180995397203 693.180786132812 693.181213378906 714.60618 710.0616 718.02834 45398393.7550581 45397199.8988507 7186602.5 11915 NA NA NA NA 38392 1 3 863 860 866 858 867 1 4562 "112621-Mix-Std-pos.mzML" 1 4853 5716 5714 714.60618 693.180786132812 0.301889970190206 714.82332 1 5716 TRUE +"881" 153.138920812983 153.138885498047 153.138961791992 703.62966 688.87824 721.36992 13933158.6943277 13718878.569346 613733.6875 40 NA NA NA NA 37973 0 7 851 844 858 811 847 1 3796 "112621-Mix-Std-pos.mzML" 0.559935533081665 4808 5663 5658 707.33184 153.138931274414 0.0683133417294463 707.95572 1 5663 TRUE +"1480" 226.180674708764 226.180603027344 226.180740356445 511.854708 507.394704 517.319802 2512442.18726725 2334900.01926508 716635.25 67 NA NA NA NA 25754 0 3 640 637 643 111 122 1 1566 "112621-Mix-Std-pos.mzML" 0.850180442992194 3513 4152 4146 510.931152 226.180694580078 0.0878559322691349 511.722204 1 4152 TRUE +"4544" 715.163200284316 715.163024902344 715.163513183594 602.86446 598.207896 607.36614 17742838.605928 17742828.5318596 2103129.5 2103128 NA NA NA NA 38407 0 3 741 738 744 736 746 1 4804 "112621-Mix-Std-pos.mzML" 1 4145 4890 4888 606.45324 715.163330078125 0.181488377419956 606.71076 1 4890 TRUE +"4374" 710.207750591799 710.207458496094 710.207946777344 108.269754 87.295818 126.713472 219135512.631585 219135472.375257 7013994.5 7013994 NA NA NA NA 38402 0 13 176 163 189 151 198 1 4668 "112621-Mix-Std-pos.mzML" 1 601 755 751 89.860878 710.207702636719 0.0675226095148247 90.375804 1 755 TRUE +"4207" 693.181227859978 693.18115234375 693.181274414062 152.201832 148.811682 159.873354 87468667.8035057 87467061.1606492 10095939 15188 NA NA NA NA 38392 0 3 228 225 231 224 237 1 4555 "112621-Mix-Std-pos.mzML" 1 1072 1305 1304 156.56151 693.181213378906 0.0208907448772696 156.70509 1 1305 TRUE +"325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.391244605310864 1123 1364 1360 163.306758 116.962158203125 0.180932312010379 163.786008 1 1364 FALSE +"322" 116.962143353853 116.962104797363 116.962173461914 79.109688 73.366812 89.860878 85723358.1468938 85723340.8281245 5532441.5 5532440 NA NA NA NA 37831 0 7 141 134 148 134 154 1 3642 "112621-Mix-Std-pos.mzML" 0.344669708246465 568 717 716 85.644996 116.962188720703 0.387876361642145 85.78074 1 717 FALSE +"4554" 715.163171953786 715.162963867188 715.163269042969 330.126066 324.137736 337.003992 29615306.0679683 29615292.3439619 2676208.25 2676207 NA NA NA NA 38407 0 3 434 431 437 427 442 1 4815 "112621-Mix-Std-pos.mzML" 1 2238 2665 2662 324.137736 715.163330078125 0.221102463499192 324.47862 1 2665 TRUE +"197" 113.963936881878 113.963928222656 113.963958740234 398.836758 393.565728 401.45121 39495032.8270558 39495024.0654091 4684248 4684247 NA NA NA NA 37820 0 3 513 510 516 507 516 1 3563 "112621-Mix-Std-pos.mzML" 1 2760 3274 3271 399.747654 113.963935852051 0.0090364320659368 400.040658 1 3274 TRUE +"347" 116.962140674009 116.962120056152 116.962188720703 252.182202 246.095598 257.402778 34943961.0916465 34943948.9146834 3034781.5 3034780 NA NA NA NA 37831 1 3 344 341 347 337 350 1 3636 "112621-Mix-Std-pos.mzML" 0.383989908199984 1722 2063 2060 249.66162 116.962135314941 0.0458188244008798 249.96063 1 2063 FALSE +"325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.398107779532707 1270 1536 1535 184.820166 116.962127685547 0.441850655791152 184.956822 1 1536 FALSE +"4383" 710.207817864426 710.207702636719 710.207885742188 303.264486 296.314356 307.578918 66079925.1341575 66079913.0030907 6845788 6845787 NA NA NA NA 38402 0 3 403 400 406 395 408 1 4696 "112621-Mix-Std-pos.mzML" 1 2120 2527 2522 306.69057 710.207885742188 0.0955745061646433 307.324536 1 2527 TRUE +"330" 116.962187307174 116.962120056152 116.962242126465 711.9573 694.37538 722.96436 59256930.7473248 59256901.2649392 2293238.25 2293237 NA NA NA NA 37831 0 5 860 855 865 841 873 1 3627 "112621-Mix-Std-pos.mzML" 0.345969461360508 4739 5583 5581 697.21584 116.962203979492 0.142544511148405 697.47966 1 5583 FALSE +"2613" 374.05365139656 374.053436279297 374.053802490234 79.109688 73.366812 84.018864 9225955.94399325 9225944.47255263 1002017.0625 1002016 NA NA NA NA 38257 0 5 141 136 146 134 147 1 3992 "112621-Mix-Std-pos.mzML" 0.160805971919105 525 666 660 79.109688 374.053802490234 0.403935836010936 79.797348 1 666 FALSE +"3317" 419.316384546965 419.316040039062 419.316650390625 140.230182 139.372908 153.045678 8159004.91726523 8098649.16313118 709468.875 144 NA NA NA NA 38324 0 9 214 205 223 213 229 1 4429 "112621-Mix-Std-pos.mzML" 0.958273904891371 1017 1240 1234 147.940452 419.316467285156 0.197316857462515 148.687362 1 1240 TRUE +"4536" 715.163075998006 715.162902832031 715.163269042969 347.216796 342.794274 353.278074 26303051.2064435 26303039.8489935 2741232.25 2614554 NA NA NA NA 38407 1 3 454 451 457 449 461 1 4821 "112621-Mix-Std-pos.mzML" 1 2397 2850 2844 346.459992 715.163269042969 0.26993138894968 347.092698 1 2850 TRUE +"2896" 383.059406561823 383.059265136719 383.059539794922 67.552188 54.1674342 79.109688 15473087.5027367 15473061.7290745 813336.5 813336 NA NA NA NA 38271 0 9 127 118 136 111 141 1 4201 "112621-Mix-Std-pos.mzML" 0.458751852327146 391 510 506 61.049892 383.059539794922 0.34781315045242 61.55196 1 510 FALSE +"4398" 710.207651117507 710.207397460938 710.207824707031 450.98676 446.710164 454.516188 46827840.5588039 46827831.8854439 6316222 6316221 NA NA NA NA 38402 0 3 572 569 575 567 576 1 4670 "112621-Mix-Std-pos.mzML" 1 3124 3699 3698 453.67107 710.207824707031 0.244420803295708 453.814722 1 3699 TRUE +"2907" 383.059425135895 383.059204101562 383.059539794922 251.32227 242.607528 256.528452 5714729.15131996 5714714.36033821 554421.4375 554420 NA NA NA NA 38271 1 3 343 340 346 333 349 1 4217 "112621-Mix-Std-pos.mzML" 0.51663961043498 1707 2045 2039 246.991656 383.059356689453 0.178683612837263 247.784208 1 2045 TRUE +"4571" 715.162925436475 715.162780761719 715.163146972656 796.85886 765.47388 803.67708 137096672.510127 137096634.306927 4840819 4122582 NA NA NA NA 38407 0 9 959 950 968 923 967 1 4801 "112621-Mix-Std-pos.mzML" 1 5441 6402 6400 798.45294 715.162780761719 0.202296219342075 798.72072 1 6402 TRUE +"4222" 693.1811565857 693.181030273438 693.181274414062 432.596238 425.44404 439.699512 86951742.8323005 86949700.0389875 7466560.5 12379 NA NA NA NA 38392 0 5 551 546 556 543 559 1 4549 "112621-Mix-Std-pos.mzML" 1 2964 3512 3509 430.042806 693.181213378906 0.0819312604592927 430.357896 1 3512 TRUE +"76" 105.954029737794 105.954025268555 105.954040527344 652.83624 650.007 657.48138 3634496.33992599 3634487.93124849 465933.375 465932 NA NA NA NA 37801 0 3 796 793 799 793 801 1 3509 "112621-Mix-Std-pos.mzML" 0.289302336710425 4461 5258 5252 653.73192 105.954040527344 0.101832367870855 654.4821 1 5258 FALSE +"339" 116.96213583239 116.962097167969 116.962173461914 275.757876 273.211956 280.127796 22289582.44968 22289574.66936 3001595.5 3001594 NA NA NA NA 37831 0 3 371 368 374 368 376 1 3651 "112621-Mix-Std-pos.mzML" 0.153415359598304 1897 2267 2263 274.911558 116.962142944336 0.0608055373713343 275.392932 1 2267 FALSE +"4203" 693.181060844327 693.180603027344 693.181274414062 419.282754 412.955484 424.58244 81420745.281739 81419056.5347032 7437825.5 12331 NA NA NA NA 38392 0 3 536 533 539 529 542 1 4529 "112621-Mix-Std-pos.mzML" 1 2880 3414 3411 417.60936 693.181274414062 0.308100938618657 417.91881 1 3414 TRUE +"3055" 394.567589771966 394.567199707031 394.567840576172 163.306758 158.167134 165.868284 6783451.97972709 6783443.42289376 927027.5625 927027 NA NA NA NA 38294 0 3 241 238 244 235 244 1 4268 "112621-Mix-Std-pos.mzML" 0.355569427728797 1088 1323 1318 158.167134 394.567413330078 0.447177854339709 158.765586 1 1323 FALSE +"4370" 710.207834256406 710.207580566406 710.2080078125 492.9333 485.760828 495.637944 54784072.1919775 54784061.4169418 6029825.5 5999048 NA NA NA NA 38402 1 3 619 616 622 611 622 1 4701 "112621-Mix-Std-pos.mzML" 1 3395 4015 4013 493.843572 710.207885742188 0.0724939650429772 494.11659 1 4015 TRUE +"199" 113.96389681332 113.963859558105 113.963943481445 293.642508 291.949002 300.53421 47583878.0650378 47583868.621309 5448346 5448345 NA NA NA NA 37820 0 3 392 389 395 390 400 1 3560 "112621-Mix-Std-pos.mzML" 1 2062 2460 2459 298.828638 113.963966369629 0.610336353517453 298.964412 1 2460 TRUE +"350" 116.962196943955 116.96216583252 116.962226867676 608.23728 600.93324 616.5267 35535988.8512432 35535972.3405209 2231016.75 2231016 NA NA NA NA 37831 0 5 747 742 752 739 756 1 3656 "112621-Mix-Std-pos.mzML" 0.358528306913778 4162 4910 4909 609.16842 116.962196350098 0.00507734569532854 609.30498 1 4910 FALSE +"603" 128.950973211022 128.950942993164 128.95100402832 26.947614 20.9739168 38.256057 25223656.1741234 24070385.2043973 1843882.25 17 NA NA NA NA 35357 0 7 76 69 83 68 91 1 2793 "112621-Mix-Std-pos.mzML" 0.591454933801527 156 236 233 29.7546102 128.950988769531 0.120654450220799 30.1082112 1 236 TRUE +"3481" 449.108697685258 449.108581542969 449.108734130859 324.137736 318.912522 329.251866 320697560.060326 320669478.462338 77511800 9226 NA NA NA NA 33080 0 3 427 424 430 116 128 1 1995 "112621-Mix-Std-pos.mzML" 1 2216 2639 2634 320.74617 449.108673095703 0.0547519016963293 321.395634 1 2639 TRUE +"348" 116.962179814881 116.962127685547 116.962226867676 412.955484 405.07398 422.868564 49672959.7601538 49672941.0758406 2788807 2753994 NA NA NA NA 37831 0 5 529 524 534 520 540 1 3625 "112621-Mix-Std-pos.mzML" 0.376573234443549 2915 3455 3453 422.868564 116.962135314941 0.380464349887371 423.128706 1 3455 FALSE +"331" 116.962172172737 116.962135314941 116.962203979492 663.81 660.1842 669.31818 20374030.7495679 20374020.7021899 2085692.625 2085692 NA NA NA NA 37831 1 3 808 805 811 804 814 1 3670 "112621-Mix-Std-pos.mzML" 0.392423008950988 4536 5346 5343 665.65362 116.962173461914 0.0110221680972504 666.09726 1 5346 FALSE +"1095" 174.992615701742 174.992538452148 174.992691040039 619.2072 613.73544 627.32064 11403712.8250913 10408588.1725432 1446521.625 26 NA NA NA NA 34827 1 3 759 756 762 284 299 1 2568 "112621-Mix-Std-pos.mzML" 0.826125378926414 4260 5024 5021 623.66706 174.99267578125 0.343325963475706 624.0522 1 5024 TRUE +"2606" 374.053567052253 374.053100585938 374.053802490234 448.413816 443.333592 454.516188 4543887.05413877 4543875.01134308 693554.5 693554 NA NA NA NA 38257 1 3 569 566 572 563 576 1 3973 "112621-Mix-Std-pos.mzML" 0.325693974603032 3099 3669 3663 449.21709 374.053588867188 0.0583203495176919 449.950476 1 3669 FALSE +"4917" 1081.26550269436 1081.26428222656 1081.26794433594 782.00022 774.15558 789.80868 12572670.1772902 12528511.12378 3493527.5 287 NA NA NA NA 37738 0 5 942 937 947 119 137 1 3393 "112621-Mix-Std-pos.mzML" 1 5318 6258 6253 780.32148 1081.265625 0.113113416925922 780.96288 1 6258 TRUE +"4211" 693.181133983834 693.181030273438 693.181213378906 236.424492 232.107048 240.802224 67689003.5819592 67687713.5961001 8601567 14261 NA NA NA NA 38392 0 3 326 323 329 321 331 1 4556 "112621-Mix-Std-pos.mzML" 1 1660 1991 1990 240.802224 693.180969238281 0.237665949702952 240.983454 1 1991 TRUE +"315" 116.962153856703 116.962127685547 116.962181091309 398.836758 391.803024 405.07398 37313813.6120921 37313799.4564057 2765079 2765078 NA NA NA NA 37831 0 5 513 508 518 505 520 1 3654 "112621-Mix-Std-pos.mzML" 0.370389587009966 2746 3258 3257 397.95015 116.962173461914 0.167620123440698 398.085906 1 3258 FALSE +"4829" 887.260497717571 887.259216308594 887.261840820312 285.24963 281.878662 290.160234 8458008.79518707 8458000.51361507 3138669.25 3138668 NA NA NA NA 13922 2 3 382 379 385 99 109 1 903 "112621-Mix-Std-pos.mzML" 1 1958 2338 2333 283.531914 887.259216308594 1.44423084396312 284.159238 1 2338 TRUE +"4207" 693.181227859978 693.18115234375 693.181274414062 152.201832 148.811682 159.873354 87468667.8035057 87467061.1606492 10095939 15188 NA NA NA NA 38392 0 3 228 225 231 224 237 1 4555 "112621-Mix-Std-pos.mzML" 1 1027 1252 1248 149.716434 693.181274414062 0.0671600473209418 150.195534 1 1252 TRUE +"224" 113.963941894218 113.963882446289 113.963973999023 375.361122 371.788596 379.585746 39884982.0976627 39884973.4341627 5064271 5055990 NA NA NA NA 37820 0 3 486 483 489 482 491 1 3562 "112621-Mix-Std-pos.mzML" 1 2596 3083 3082 376.24365 113.963958740234 0.147818829223127 376.379424 1 3083 TRUE +"335" 116.96215694512 116.962104797363 116.962188720703 67.552188 64.228608 70.80864 40041228.9696841 40041221.5671481 5556001.5 5556000 NA NA NA NA 37831 1 3 127 124 130 123 131 1 3648 "112621-Mix-Std-pos.mzML" 0.0414472645305387 447 575 569 68.372388 116.962188720703 0.271674049227527 69.00912 1 575 FALSE +"4540" 715.163234669683 715.163146972656 715.163391113281 311.986632 308.491668 316.424484 21350168.1185039 21350159.3042639 3244341 3244340 NA NA NA NA 38407 0 3 413 410 416 409 418 1 4809 "112621-Mix-Std-pos.mzML" 1 2187 2605 2599 316.424484 715.163146972656 0.122625189054788 317.055372 1 2605 TRUE +"22" 103.95580088644 103.955757141113 103.955871582031 664.73424 607.36614 718.02834 100489686.469614 100489574.892851 1133407.75 1058466 NA NA NA NA 37798 0 33 809 776 842 746 867 1 3410 "112621-Mix-Std-pos.mzML" 0.858573604280083 4338 5115 5112 635.53026 103.955825805664 0.239709793766007 635.94336 1 5115 TRUE +"884" 153.138864935078 153.138824462891 153.138900756836 210.974466 191.824608 233.80287 38220942.7773959 37946084.4632211 1250519.25 83 NA NA NA NA 37973 0 9 296 287 305 250 299 1 3794 "112621-Mix-Std-pos.mzML" 0.765611854185788 1380 1664 1661 200.50002 153.138854980469 0.0650038088910506 200.894772 1 1664 TRUE +"4373" 710.207782799929 710.207458496094 710.208068847656 219.103968 187.423992 254.83425 517046609.341661 517046541.067169 13950125 13950124 NA NA NA NA 38402 0 19 306 287 325 269 347 1 4661 "112621-Mix-Std-pos.mzML" 1 1618 1942 1941 234.721098 710.207824707031 0.0590068186329491 234.864666 1 1942 TRUE +"2071" 304.300392491308 304.299896240234 304.300506591797 712.87494 706.39704 718.02834 4592919.12181078 4150772.91699816 749923.9375 42 NA NA NA NA 33136 0 3 861 858 864 266 279 1 2008 "112621-Mix-Std-pos.mzML" 0.943517363896193 4832 5691 5686 710.94186 304.300476074219 0.274672372090294 711.69792 1 5691 TRUE +"330" 116.962187307174 116.962120056152 116.962242126465 711.9573 694.37538 722.96436 59256930.7473248 59256901.2649392 2293238.25 2293237 NA NA NA NA 37831 0 5 860 855 865 841 873 1 3627 "112621-Mix-Std-pos.mzML" 0.336534409219146 4873 5739 5735 717.16692 116.962173461914 0.118373814915834 717.64614 1 5739 FALSE +"2423" 348.990870195785 348.990692138672 348.991058349609 619.2072 613.73544 626.43528 8342635.98416525 7981619.19338913 1091904.875 30 NA NA NA NA 35012 1 3 759 756 762 282 296 1 2630 "112621-Mix-Std-pos.mzML" 0.742790584032739 4263 5027 5021 623.66706 348.990844726562 0.072979624425769 624.44424 1 5027 TRUE +"209" 113.963956370007 113.963920593262 113.963981628418 735.05634 730.66842 739.59168 12934188.8530455 12934179.0374595 1460955.625 1442159 NA NA NA NA 37820 1 3 887 884 890 882 892 1 3574 "112621-Mix-Std-pos.mzML" 0.814479043751613 5009 5898 5896 736.93266 113.96395111084 0.0461476373001804 737.1708 1 5898 TRUE +"4394" 710.207955560318 710.207702636719 710.208435058594 577.346844 566.453892 586.468944 89503682.7688309 89503661.8440038 5584779.5 5584778 NA NA NA NA 38402 0 7 713 706 720 701 723 1 4684 "112621-Mix-Std-pos.mzML" 1 3941 4652 4650 575.60382 710.207824707031 0.184246438581331 575.84844 1 4652 TRUE +"48" 103.955779883462 103.955757141113 103.955810546875 565.539744 560.076294 570.959748 12414982.0928937 12414970.3024852 1098840.5 1096173 NA NA NA NA 37798 0 3 700 697 703 694 706 1 3446 "112621-Mix-Std-pos.mzML" 0.907569196802155 3883 4584 4580 566.453892 103.955757141113 0.218769451918963 566.944896 1 4584 TRUE +"744" 144.982376836758 144.981811523438 144.982498168945 772.52448 721.36992 803.67708 88235714.21792 88235631.91076 1736307.5 1736306 NA NA NA NA 37944 0 27 931 904 958 871 967 1 3740 "112621-Mix-Std-pos.mzML" 0.67869614600194 5230 6156 6155 767.99604 144.982391357422 0.100154683216604 768.1326 1 6156 TRUE +"4541" 715.163431018626 715.163269042969 715.163635253906 594.622746 590.959974 598.207896 14339941.6507752 14339933.4968629 2283879.5 2283878 NA NA NA NA 38407 0 3 732 729 735 728 736 1 4840 "112621-Mix-Std-pos.mzML" 1 4074 4807 4804 595.490124 715.163330078125 0.141143264470274 595.884108 1 4807 TRUE +"4570" 715.163254099852 715.1630859375 715.163391113281 676.7544 656.58264 704.54232 69578299.1122545 69578250.230273 1954280.125 1920786 NA NA NA NA 38407 0 13 822 809 835 800 852 1 4800 "112621-Mix-Std-pos.mzML" 1 4738 5582 5581 697.21584 715.16357421875 0.447616534863407 697.35942 1 5582 TRUE +"2611" 374.053830002777 374.053741455078 374.053924560547 151.364034 147.061476 159.017412 9415408.43104241 9415395.62111099 903380.5625 903380 NA NA NA NA 38257 0 3 227 224 230 222 236 1 3970 "112621-Mix-Std-pos.mzML" 0.197569538814489 1022 1246 1241 148.811682 374.053833007812 0.00803369911066158 149.465586 1 1246 FALSE +"3311" 419.31630078461 419.316009521484 419.316589355469 275.757876 272.357532 281.004792 5262489.31127495 5222970.44871528 641769.8125 130 NA NA NA NA 38324 0 3 371 368 374 367 377 1 4447 "112621-Mix-Std-pos.mzML" 1 1885 2253 2249 273.211956 419.316223144531 0.185158742686971 273.7389 1 2253 TRUE +"4570" 715.163254099852 715.1630859375 715.163391113281 676.7544 656.58264 704.54232 69578299.1122545 69578250.230273 1954280.125 1920786 NA NA NA NA 38407 0 13 822 809 835 800 852 1 4800 "112621-Mix-Std-pos.mzML" 1 4530 5339 5336 664.73424 715.163391113281 0.191583429554511 665.14374 1 5339 TRUE +"4381" 710.207741071561 710.207397460938 710.207946777344 64.228608 55.9895172 71.654064 112342797.223381 112342780.734384 19347406 19347405 NA NA NA NA 38402 0 5 123 118 128 113 132 1 4671 "112621-Mix-Std-pos.mzML" 1 446 574 569 68.372388 710.2080078125 0.375581570935783 68.938386 1 574 TRUE +"757" 144.982360884806 144.982315063477 144.982406616211 275.757876 272.357532 281.878662 13662813.2190113 13662802.832324 1673273 1673272 NA NA NA NA 37944 0 3 371 368 374 367 378 1 3757 "112621-Mix-Std-pos.mzML" 0.676459034028973 1902 2273 2270 275.757876 144.982345581055 0.105555952786837 276.106008 1 2273 TRUE +"350" 116.962196943955 116.96216583252 116.962226867676 608.23728 600.93324 616.5267 35535988.8512432 35535972.3405209 2231016.75 2231016 NA NA NA NA 37831 0 5 747 742 752 739 756 1 3656 "112621-Mix-Std-pos.mzML" 0.170389892220427 4194 4947 4944 613.73544 116.962158203125 0.331225226403562 614.11386 1 4947 FALSE +"2072" 304.300443159698 304.300384521484 304.300506591797 663.81 655.52436 672.19974 39194136.1072111 38572824.0293123 9314443 541 NA NA NA NA 33136 0 5 808 803 813 211 229 1 2007 "112621-Mix-Std-pos.mzML" 1 4547 5359 5357 667.53198 304.300384521484 0.192698415592666 667.79472 1 5359 TRUE +"4532" 715.163392738379 715.163208007812 715.163696289062 622.79316 612.80958 630.10008 31341690.4606481 31341672.2601218 1979838.25 1979837 NA NA NA NA 38407 0 7 763 756 770 752 771 1 4812 "112621-Mix-Std-pos.mzML" 1 4295 5065 5063 629.17938 715.163391113281 0.00227234423323012 629.44674 1 5065 TRUE +"119" 105.954028633563 105.954010009766 105.954040527344 351.631116 347.216796 357.707424 6337365.42655122 6337354.06170422 623246.5 623246 NA NA NA NA 37801 0 3 459 456 462 454 466 1 3476 "112621-Mix-Std-pos.mzML" 0.445664523898019 2413 2869 2865 348.930366 105.954040527344 0.112254164546116 349.449822 1 2869 FALSE +"4196" 693.180748109645 693.18017578125 693.180908203125 286.85778 282.753732 294.468438 94229832.0999965 94228139.2888715 10422566 17280 NA NA NA NA 38392 0 3 384 381 387 379 393 1 4522 "112621-Mix-Std-pos.mzML" 1 2014 2404 2403 291.949002 693.180786132812 0.054853179213863 292.09266 1 2404 TRUE +"324" 116.962176860303 116.962142944336 116.962203979492 733.30494 722.96436 734.22564 20842441.9929232 20842429.8653909 1899255.375 1927509 NA NA NA NA 37831 0 5 885 880 890 873 886 1 3658 "112621-Mix-Std-pos.mzML" 0.354639673687157 4984 5869 5868 733.30494 116.962188720703 0.101403724654838 733.44156 1 5869 FALSE +"328" 116.962162523988 116.962135314941 116.962211608887 35.937783 31.342587 39.907035 79008987.0513164 79008977.7082822 9638680 9459518 NA NA NA NA 37831 0 3 88 85 91 82 93 1 3659 "112621-Mix-Std-pos.mzML" 0.41119424441992 220 311 310 38.256057 116.962181091309 0.158746386932412 38.3927322 1 311 FALSE +"818" 149.023613784109 149.023590087891 149.023651123047 728.0274 719.81046 735.94002 90483594.1214075 89617346.6506934 16551143 303 NA NA NA NA 37957 0 5 879 874 884 869 888 1 3783 "112621-Mix-Std-pos.mzML" 1 4940 5817 5812 726.38172 149.023590087891 0.159009824704028 726.8967 1 5817 TRUE +"318" 116.962207404002 116.962181091309 116.962226867676 625.42986 616.5267 631.87326 34907277.5898778 34907261.340579 2300913 2300912 NA NA NA NA 37831 0 5 766 761 771 756 773 1 3657 "112621-Mix-Std-pos.mzML" 0.385131802554125 4223 4981 4979 618.34878 116.962135314941 0.616344907776959 618.57048 1 4981 FALSE +"35" 103.955810385967 103.955780029297 103.955848693848 586.468944 580.982448 592.840296 13279933.8286064 13279921.0586162 1119846.875 1107010 NA NA NA NA 37798 1 3 723 720 726 717 730 1 3420 "112621-Mix-Std-pos.mzML" 0.914459328978991 4049 4778 4776 591.93192 103.955841064453 0.295110840670136 592.19568 1 4778 TRUE +"2216" 327.078509615476 327.078338623047 327.078674316406 553.95906 548.665956 562.893762 18238433.04737 18139453.4770099 1397251.75 151 NA NA NA NA 38225 1 3 687 684 690 681 697 1 3916 "112621-Mix-Std-pos.mzML" 0.854747344183719 3840 4534 4531 560.076294 327.078704833984 0.5968551961017 560.47407 1 4534 TRUE +"337" 116.962190526974 116.96215057373 116.962249755859 585.499998 568.24977 600.93324 75333619.5975388 75333586.0061947 2396871.75 2396871 NA NA NA NA 37831 0 5 722 717 727 703 739 1 3631 "112621-Mix-Std-pos.mzML" 0.374577604014831 4102 4840 4839 600.03588 116.962173461914 0.145902360074672 600.1716 1 4840 FALSE +"3034" 394.567626182733 394.567413330078 394.56787109375 357.707424 341.138448 378.759876 18207588.7017688 18207550.2054239 670660.1875 670659 NA NA NA NA 38294 0 9 466 457 475 447 490 1 4264 "112621-Mix-Std-pos.mzML" 0.27475467158992 2546 3024 3019 368.317854 394.567718505859 0.233985559587591 368.965296 1 3024 FALSE +"4553" 715.16327387486 715.1630859375 715.163452148438 439.699512 425.44404 447.570012 49539923.7517714 49539900.7407605 2810780.5 2810780 NA NA NA NA 38407 0 5 559 554 564 543 568 1 4811 "112621-Mix-Std-pos.mzML" 1 3024 3582 3579 438.827262 715.163330078125 0.0785880193657301 439.217592 1 3582 TRUE +"3315" 419.316387700819 419.316162109375 419.316467285156 677.67456 662.01234 705.46602 22251484.9106858 22067109.4260004 775259.8125 122 NA NA NA NA 38324 0 9 823 814 832 806 853 1 4437 "112621-Mix-Std-pos.mzML" 1 4725 5566 5560 694.37538 419.31640625 0.0442367183353887 695.16882 1 5566 TRUE +"488" 124.087078280043 124.087051391602 124.087104797363 832.48656 821.93232 839.71686 643254675.498166 640307081.714018 46021640 267 NA NA NA NA 39454 0 9 1080 1071 1089 134 188 1 5028 "112621-Mix-Std-pos.mzML" 0.00966344093006419 5567 6634 6632 828.18918 124.087097167969 0.152215088758691 828.42372 1 6634 FALSE +"344" 116.96218728199 116.96215057373 116.962203979492 639.12918 634.62936 642.80586 19378629.5616248 19378620.4766248 2330604.25 2330603 NA NA NA NA 37831 0 3 781 778 784 776 785 1 3632 "112621-Mix-Std-pos.mzML" 0.348929965432854 4342 5120 5119 636.46524 116.962203979492 0.142759830883258 636.60186 1 5120 FALSE +"3575" 468.390456645142 468.390319824219 468.390533447266 742.3614 736.93266 750.14112 9317883.6025549 9026154.60054058 1651192 138 NA NA NA NA 35389 0 3 895 892 898 255 270 1 2802 "112621-Mix-Std-pos.mzML" 1 5036 5929 5924 740.49636 468.390472412109 0.033662017016197 741.18228 1 5929 TRUE +"711" 142.110301352725 142.110244750977 142.110366821289 835.13952 833.0466 836.88018 398513.166690207 398508.907156873 112450.96875 112450 NA NA NA NA 39507 0 3 1087 1084 1090 162 171 1 5073 "112621-Mix-Std-pos.mzML" 0.348062949812152 5601 6687 6684 834.5994 142.110336303711 0.245942664061604 834.93672 1 6687 FALSE +"4208" 693.181303033378 693.180969238281 693.181518554688 622.79316 614.6313 630.10008 65078592.1893452 65076383.2004431 4595294.5 7619 NA NA NA NA 38392 0 5 763 758 768 754 771 1 4544 "112621-Mix-Std-pos.mzML" 1 4245 5006 5000 620.99808 693.181457519531 0.222865435292718 621.77502 1 5006 TRUE +"73" 105.954037601612 105.95401763916 105.954055786133 374.449284 371.788596 383.84658 7190816.68183631 7190803.76256773 626541.875 586772 NA NA NA NA 37801 0 3 485 482 488 482 496 1 3498 "112621-Mix-Std-pos.mzML" 0.434975579185665 2581 3065 3061 373.5327 105.954048156738 0.099619859481859 374.059854 1 3065 FALSE +"4374" 710.207750591799 710.207458496094 710.207946777344 108.269754 87.295818 126.713472 219135512.631585 219135472.375257 7013994.5 7013994 NA NA NA NA 38402 0 13 176 163 189 151 198 1 4668 "112621-Mix-Std-pos.mzML" 1 849 1044 1038 124.1862 710.207824707031 0.104357114971823 124.93173 1 1044 TRUE +"4103" 663.454565159079 663.454467773438 663.454772949219 797.74374 779.52714 803.67708 86687485.102612 86482951.5274504 6243668.5 253 NA NA NA NA 38378 0 5 960 955 965 123 151 1 4502 "112621-Mix-Std-pos.mzML" 1 5465 6430 6428 801.91194 663.454772949219 0.313194226355102 802.17114 1 6430 TRUE +"3994" 610.184961506751 610.182250976562 610.18603515625 755.8023 728.0274 791.62044 90268811.1756026 89873098.1237361 3946269 414 NA NA NA NA 38368 0 15 912 897 927 95 169 1 4493 "112621-Mix-Std-pos.mzML" 0.28073726344588 5218 6142 6141 766.3473 610.185241699219 0.459192679324275 766.48992 1 6142 FALSE +"3217" 403.106099703234 403.105834960938 403.107116699219 218.284896 216.023472 221.604618 1996160.5517624 1996155.76792297 1056255.5 1056254 NA NA NA NA 10618 3 3 305 302 308 99 106 1 667 "112621-Mix-Std-pos.mzML" 0.990296156203662 1509 1814 1808 218.284896 403.106018066406 0.20251945506336 218.991648 1 1814 TRUE +"2894" 383.059365789853 383.059143066406 383.059539794922 125.852244 120.833574 129.193758 5566308.1123482 5566298.9161458 801598.8125 801598 NA NA NA NA 38271 1 3 197 194 200 191 201 1 4213 "112621-Mix-Std-pos.mzML" 0.477413048440871 852 1048 1045 125.055276 383.059387207031 0.0559108586657178 125.42673 1 1048 FALSE +"205" 113.963942304805 113.963928222656 113.963958740234 305.817834 300.53421 310.268844 53546075.1223995 53546064.5027988 5374485 5374484 NA NA NA NA 37820 0 3 406 403 409 400 411 1 3546 "112621-Mix-Std-pos.mzML" 1 2142 2553 2550 310.268844 113.963943481445 0.0103246687632134 310.634418 1 2553 TRUE +"326" 116.962165700053 116.96215057373 116.962181091309 306.69057 298.828638 311.092062 36856983.9316114 36856970.7922285 3117101.5 3117100 NA NA NA NA 37831 0 3 407 404 410 398 412 1 3637 "112621-Mix-Std-pos.mzML" 0.344393381322485 2128 2537 2536 308.491668 116.962181091309 0.131591742243429 308.627436 1 2537 FALSE +"4197" 693.181002425239 693.180908203125 693.18115234375 481.283196 476.768292 486.6189 60654496.8284314 60653047.5044273 6630534 10993 NA NA NA NA 38392 0 3 606 603 609 601 612 1 4542 "112621-Mix-Std-pos.mzML" 1 3323 3931 3929 483.063222 693.180908203125 0.135927144013305 483.335724 1 3931 TRUE +"2467" 355.070645329085 355.070343017578 355.071044921875 757.56852 752.91954 765.47388 5180923.06958434 5068294.25071932 742659.0625 68 NA NA NA NA 38244 1 5 914 909 919 136 151 1 3956 "112621-Mix-Std-pos.mzML" 0.440733698493392 5165 6080 6078 758.39742 355.070556640625 0.249776941353885 758.66508 1 6080 FALSE +"99" 105.954062543075 105.954032897949 105.954124450684 577.346844 570.097938 584.61069 7512663.51876571 7512648.09896671 572207.375 572206 NA NA NA NA 37801 0 5 713 708 718 705 721 1 3478 "112621-Mix-Std-pos.mzML" 0.468763720397005 3943 4654 4650 575.60382 105.954048156738 0.135779003092456 576.095646 1 4654 FALSE +"4195" 693.181065815826 693.180603027344 693.181335449219 112.460274 90.705714 136.883406 345631735.304489 345625394.104537 9416165 15611 NA NA NA NA 38392 0 21 181 160 202 155 210 1 4527 "112621-Mix-Std-pos.mzML" 1 653 816 814 97.351794 693.181213378906 0.212878116738318 97.581078 1 816 TRUE +"4540" 715.163234669683 715.163146972656 715.163391113281 311.986632 308.491668 316.424484 21350168.1185039 21350159.3042639 3244341 3244340 NA NA NA NA 38407 0 3 413 410 416 409 418 1 4809 "112621-Mix-Std-pos.mzML" 1 2146 2558 2557 311.092062 715.163269042969 0.0480635524552273 311.235618 1 2558 TRUE +"4222" 693.1811565857 693.181030273438 693.181274414062 432.596238 425.44404 439.699512 86951742.8323005 86949700.0389875 7466560.5 12379 NA NA NA NA 38392 0 5 551 546 556 543 559 1 4549 "112621-Mix-Std-pos.mzML" 1 2950 3496 3495 428.21271 693.181091308594 0.0941703420442485 428.356368 1 3496 TRUE +"3322" 419.316463590464 419.316223144531 419.316955566406 322.55019 304.91706 323.279886 10037293.1436757 9957369.3410133 672683 132 NA NA NA NA 38324 0 13 425 412 438 405 426 1 4430 "112621-Mix-Std-pos.mzML" 1 2130 2539 2536 308.491668 419.316375732422 0.209526813157247 308.845266 1 2539 TRUE +"331" 116.962172172737 116.962135314941 116.962203979492 663.81 660.1842 669.31818 20374030.7495679 20374020.7021899 2085692.625 2085692 NA NA NA NA 37831 1 3 808 805 811 804 814 1 3670 "112621-Mix-Std-pos.mzML" 0.343892203537787 4513 5319 5315 662.01234 116.962188720703 0.141481348010264 662.53392 1 5319 FALSE +"2224" 327.078677364499 327.078582763672 327.078765869141 246.095598 239.061054 253.076724 24407729.0066923 24310225.2176394 1983469.75 214 NA NA NA NA 38225 0 5 337 332 342 329 345 1 3922 "112621-Mix-Std-pos.mzML" 0.844228152669368 1680 2014 2011 243.51912 327.078735351562 0.177287813815672 243.856254 1 2014 TRUE +"1083" 174.031688562139 174.031631469727 174.03173828125 553.95906 550.489806 559.185864 10508329.0115618 10508320.3155038 3664543 3664542 NA NA NA NA 26261 0 3 687 684 690 99 109 1 1660 "112621-Mix-Std-pos.mzML" 0.0902252178052561 3803 4491 4489 554.773818 174.031707763672 0.110333545698501 554.993022 1 4491 FALSE +"2916" 383.059387250322 383.05908203125 383.059722900391 202.299966 191.824608 209.201442 7908408.2819331 7908390.0362574 564474.25 564473 NA NA NA NA 38271 0 5 286 281 291 274 294 1 4208 "112621-Mix-Std-pos.mzML" 0.439230992229516 1406 1694 1689 203.983044 383.059356689453 0.0797810210813393 204.655476 1 1694 FALSE +"4195" 693.181065815826 693.180603027344 693.181335449219 112.460274 90.705714 136.883406 345631735.304489 345625394.104537 9416165 15611 NA NA NA NA 38392 0 21 181 160 202 155 210 1 4527 "112621-Mix-Std-pos.mzML" 1 695 865 863 103.272444 693.181335449219 0.388979742301808 103.503096 1 865 TRUE +"341" 116.962152879415 116.962120056152 116.962173461914 546.03624 541.61034 550.489806 22668285.5276074 22668275.7601948 2470069.25 2470068 NA NA NA NA 37831 0 3 678 675 681 673 683 1 3669 "112621-Mix-Std-pos.mzML" 0.370896199976426 3724 4399 4398 543.327408 116.962120056152 0.280631482376955 543.463962 1 4399 FALSE +"4550" 715.162887367472 715.162658691406 715.1630859375 286.136058 278.368002 294.468438 77224114.6003444 77224097.652517 12277184 12277183 NA NA NA NA 38407 0 5 383 378 388 374 393 1 4793 "112621-Mix-Std-pos.mzML" 1 1985 2370 2368 287.735154 715.162902832031 0.0216238284971752 287.951238 1 2370 TRUE +"1083" 174.031688562139 174.031631469727 174.03173828125 553.95906 550.489806 559.185864 10508329.0115618 10508320.3155038 3664543 3664542 NA NA NA NA 26261 0 3 687 684 690 99 109 1 1660 "112621-Mix-Std-pos.mzML" 0.256598761511488 3792 4478 4475 553.12566 174.031677246094 0.0650228987349136 553.468446 1 4478 FALSE +"2321" 335.12597893651 335.125549316406 335.126220703125 726.38172 718.94454 735.05634 4564283.5584446 4439519.80651197 1153384.625 70 NA NA NA NA 34388 0 5 877 872 882 94 113 1 2381 "112621-Mix-Std-pos.mzML" 0.853864794899943 4934 5810 5805 725.487 335.126068115234 0.266105076258899 726.13122 1 5810 TRUE +"340" 116.962172600437 116.962120056152 116.962203979492 49.4291022 40.6209354 56.866491 123667996.62501 123667979.567177 11283042 11283041 NA NA NA NA 37831 0 5 105 100 110 94 114 1 3639 "112621-Mix-Std-pos.mzML" 0.438360749598483 307 412 408 49.4291022 116.962181091309 0.0725950234649048 49.8379782 1 412 FALSE +"341" 116.962152879415 116.962120056152 116.962173461914 546.03624 541.61034 550.489806 22668285.5276074 22668275.7601948 2470069.25 2470068 NA NA NA NA 37831 0 3 678 675 681 673 683 1 3669 "112621-Mix-Std-pos.mzML" 0.358867906918346 3760 4441 4440 548.665956 116.962173461914 0.175975722637561 548.803062 1 4441 FALSE +"329" 116.962124146082 116.962104797363 116.96216583252 111.6063 106.589628 115.7295 42821655.3060241 42821645.3352546 4449985.5 4440574 NA NA NA NA 37831 0 3 180 177 183 174 185 1 3660 "112621-Mix-Std-pos.mzML" 0.359137647865607 779 963 961 114.951546 116.962181091309 0.486868954150606 115.165842 1 963 FALSE +"726" 144.982355212277 144.982315063477 144.982437133789 107.431368 102.444066 110.710026 10872933.3301095 10872924.2375535 1470539.5 1470538 NA NA NA NA 37944 1 3 175 172 178 169 179 1 3735 "112621-Mix-Std-pos.mzML" 0.533731879577551 720 894 891 106.589628 144.982391357422 0.249307200421855 106.96491 1 894 TRUE +"2210" 327.008882693625 327.008728027344 327.009002685547 619.2072 613.73544 627.32064 18285825.1701439 18130230.5909148 2299930.25 114 NA NA NA NA 35297 1 3 759 756 762 753 768 1 2759 "112621-Mix-Std-pos.mzML" 0.515562787986267 4254 5017 5014 622.79316 327.008911132812 0.0869676300438395 623.17026 1 5017 TRUE +"2605" 374.053568051039 374.053161621094 374.053802490234 266.154306 258.250098 277.461 9557882.95104953 9557862.86692471 583474.375 583473 NA NA NA NA 38257 1 5 360 355 365 351 373 1 3994 "112621-Mix-Std-pos.mzML" 0.426727972427727 1875 2241 2235 271.444476 374.053466796875 0.270694286823706 272.232336 1 2241 FALSE +"2241" 327.078693892354 327.07861328125 327.078765869141 745.90356 736.93266 750.79302 33826896.5627908 33730473.2296475 3132671.5 268 NA NA NA NA 38225 0 3 899 896 902 889 905 1 3946 "112621-Mix-Std-pos.mzML" 0.886201413192351 5086 5988 5987 748.67412 327.07861328125 0.246457827602114 748.81272 1 5988 TRUE +"4394" 710.207955560318 710.207702636719 710.208435058594 577.346844 566.453892 586.468944 89503682.7688309 89503661.8440038 5584779.5 5584778 NA NA NA NA 38402 0 7 713 706 720 701 723 1 4684 "112621-Mix-Std-pos.mzML" 1 3898 4602 4601 569.173596 710.207702636719 0.356126113462884 569.317176 1 4602 TRUE +"340" 116.962172600437 116.962120056152 116.962203979492 49.4291022 40.6209354 56.866491 123667996.62501 123667979.567177 11283042 11283041 NA NA NA NA 37831 0 5 105 100 110 94 114 1 3639 "112621-Mix-Std-pos.mzML" 0.420643837323985 267 365 359 43.9447608 116.962181091309 0.0725950234649048 44.631942 1 365 FALSE +"4529" 715.163129783174 715.163024902344 715.163330078125 451.892196 447.570012 455.334072 18093555.7513041 18093547.1245708 2544287.25 2544286 NA NA NA NA 38407 0 3 573 570 576 568 577 1 4833 "112621-Mix-Std-pos.mzML" 1 3110 3682 3677 450.98676 715.163024902344 0.14665301628994 451.634916 1 3682 TRUE +"96" 105.954002342051 105.953544616699 105.9541015625 773.43702 720.61788 803.67708 35689870.7961773 35689787.7369773 619203.375 611945 NA NA NA NA 37801 0 29 932 903 961 870 967 1 3458 "112621-Mix-Std-pos.mzML" 0.509358388624534 5073 5972 5966 745.90356 105.95401763916 0.1443750001233 746.75418 1 5972 TRUE +"2261" 328.081903906798 328.081817626953 328.082153320312 715.45692 710.0616 720.61788 71690699.3946348 69603719.8421907 19438350 171 NA NA NA NA 35387 0 3 864 861 867 389 401 1 2801 "112621-Mix-Std-pos.mzML" 0.32194867422595 4838 5698 5693 711.9573 328.082153320312 0.760217223935449 712.61784 1 5698 FALSE +"336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.359896284476066 3466 4098 4097 504.584694 116.96216583252 0.029571859202658 504.72126 1 4098 FALSE +"488" 124.087078280043 124.087051391602 124.087104797363 832.48656 821.93232 839.71686 643254675.498166 640307081.714018 46021640 267 NA NA NA NA 39454 0 9 1080 1071 1089 134 188 1 5028 "112621-Mix-Std-pos.mzML" 1 5591 6674 6673 833.39508 124.087074279785 0.0322375062334752 833.53164 1 6674 TRUE +"4414" 710.207777924407 710.207641601562 710.2080078125 401.45121 397.040682 405.96453 54696409.6850593 54696399.8688265 6669149 6669148 NA NA NA NA 38402 0 3 516 513 519 511 521 1 4669 "112621-Mix-Std-pos.mzML" 1 2793 3312 3306 404.182914 710.207824707031 0.0658717432404916 404.948466 1 3312 TRUE +"350" 116.962196943955 116.96216583252 116.962226867676 608.23728 600.93324 616.5267 35535988.8512432 35535972.3405209 2231016.75 2231016 NA NA NA NA 37831 0 5 747 742 752 739 756 1 3656 "112621-Mix-Std-pos.mzML" 0.379883042356523 4139 4883 4881 605.58312 116.962188720703 0.0703069218369752 605.8059 1 4883 FALSE +"743" 144.982371437867 144.982330322266 144.982421875 31.342587 20.9739168 66.775392 51082366.7330657 51082320.9315905 2275218.5 1422511 NA NA NA NA 37944 0 13 82 69 95 68 126 1 3734 "112621-Mix-Std-pos.mzML" 0.395460608469844 345 456 450 54.1674342 144.982376098633 0.0321471185603729 54.950466 1 456 FALSE +"2719" 375.053855763715 375.052337646484 375.054962158203 448.413816 443.333592 453.67107 2380717.60297143 2380706.40403693 384935.21875 384934 NA NA NA NA 38259 7 3 569 566 572 563 575 1 4029 "112621-Mix-Std-pos.mzML" 0.274541423953132 3081 3648 3642 446.710164 375.054962158203 2.9499616417416 447.459858 1 3648 FALSE +"3415" 438.379668903824 438.379272460938 438.3798828125 754.30062 750.79302 761.15934 12121300.7967946 12121290.4304746 1911824.125 1911823 NA NA NA NA 38332 0 3 910 907 913 99 112 1 4457 "112621-Mix-Std-pos.mzML" 1 5132 6041 6036 753.60036 438.379730224609 0.139880540805261 754.1139 1 6041 TRUE +"4558" 715.163225248609 715.1630859375 715.163269042969 118.31922 115.7295 122.451132 11988815.5275615 11988807.9657255 1890949.25 1890948 NA NA NA NA 38407 0 3 188 185 191 185 193 1 4826 "112621-Mix-Std-pos.mzML" 1 806 994 989 118.31922 715.163269042969 0.0612368736550613 118.912848 1 994 TRUE +"47" 103.955785515603 103.955749511719 103.955810546875 72.500244 68.372388 77.414766 10390534.8044684 10390524.9400561 1120218 1120217 NA NA NA NA 37798 0 3 133 130 136 128 139 1 3439 "112621-Mix-Std-pos.mzML" 0.79363060551583 509 648 646 77.414766 103.95580291748 0.167396907544867 77.67942 1 648 TRUE +"85" 105.95406001321 105.954040527344 105.954078674316 599.113272 593.75469 603.74784 5111126.42167075 5111115.52005256 505246.84375 505246 NA NA NA NA 37801 0 3 737 734 740 731 742 1 3486 "112621-Mix-Std-pos.mzML" 0.44092605243628 4113 4852 4846 600.93324 105.954040527344 0.183908627714641 601.79442 1 4852 FALSE +"2335" 336.123405880479 336.123352050781 336.123504638672 447.570012 442.508988 452.75907 1615062288.77115 1614841435.89063 506017216 25064 NA NA NA NA 25957 0 3 568 565 571 103 115 1 1574 "112621-Mix-Std-pos.mzML" 1 3072 3638 3635 445.928124 336.123352050781 0.160148615923678 446.266578 1 3638 TRUE +"2248" 327.078662206367 327.078582763672 327.078765869141 201.410274 194.340042 208.319718 24041175.0460454 23943921.6589628 1874462.875 202 NA NA NA NA 38225 0 3 285 282 288 277 293 1 3919 "112621-Mix-Std-pos.mzML" 0.83540275740901 1343 1621 1619 195.244944 327.078735351562 0.223631815776686 195.582012 1 1621 TRUE +"4200" 693.180994644561 693.180786132812 693.181274414062 275.757876 269.609082 281.878662 93845540.7760973 93843767.7839691 8669821 14374 NA NA NA NA 38392 0 5 371 366 376 364 378 1 4546 "112621-Mix-Std-pos.mzML" 1 1900 2271 2270 275.757876 693.180908203125 0.124702547131921 275.901438 1 2271 TRUE +"4204" 693.181031085268 693.180908203125 693.18115234375 750.79302 745.90356 755.0475 2279465097.22381 2279463761.21488 690827200 1145356 NA NA NA NA 38392 0 3 905 902 908 899 911 1 4526 "112621-Mix-Std-pos.mzML" 1 5092 5995 5994 749.46408 693.181030273438 0.00117116621550902 749.60766 1 5995 TRUE +"2219" 327.0786399872 327.078552246094 327.078735351562 262.631328 253.076724 269.609082 27971240.1794429 27857296.5925735 1737966.875 185 NA NA NA NA 38225 0 5 356 351 361 345 364 1 3935 "112621-Mix-Std-pos.mzML" 0.838128150876503 1807 2162 2158 261.825702 327.078643798828 0.0116535525495019 262.240878 1 2162 TRUE +"906" 155.106869789221 155.106414794922 155.107025146484 745.90356 739.59168 749.46408 3168848.65948124 2821393.96533013 653223.1875 24 NA NA NA NA 35245 1 3 899 896 902 303 314 1 2726 "112621-Mix-Std-pos.mzML" 0.466025201951084 5067 5965 5959 745.01754 155.106903076172 0.214606556820688 745.78176 1 5965 FALSE +"357" 116.962178928027 116.962158203125 116.962203979492 516.454506 508.307076 521.848482 34226784.7591508 34226770.3149844 2563026.5 2563026 NA NA NA NA 37831 0 3 645 642 648 636 651 1 3655 "112621-Mix-Std-pos.mzML" 0.36733833758 3574 4224 4223 520.947258 116.962203979492 0.21418432729833 521.083806 1 4224 FALSE +"4534" 715.16313355615 715.162902832031 715.163269042969 471.499392 467.034066 476.768292 22899463.3553671 22899452.7362114 2470471.5 2425530 NA NA NA NA 38407 0 3 595 592 598 590 601 1 4835 "112621-Mix-Std-pos.mzML" 1 3251 3847 3845 472.384992 715.1630859375 0.0665843188501852 472.628796 1 3847 TRUE +"99" 105.954062543075 105.954032897949 105.954124450684 577.346844 570.097938 584.61069 7512663.51876571 7512648.09896671 572207.375 572206 NA NA NA NA 37801 0 5 713 708 718 705 721 1 3478 "112621-Mix-Std-pos.mzML" 0.377217133508539 3909 4614 4608 570.097938 105.954002380371 0.567818757763399 570.826512 1 4614 FALSE +"4410" 710.207842287075 710.207458496094 710.208190917969 782.00022 773.43702 789.80868 188348902.885368 188348885.652042 13920590 13920589 NA NA NA NA 38402 0 5 942 937 947 932 951 1 4691 "112621-Mix-Std-pos.mzML" 1 5284 6219 6218 775.90596 710.207885742188 0.0611864723686991 776.11578 1 6219 TRUE +"4858" 1007.44552132717 1007.44512939453 1007.44586181641 750.79302 745.90356 755.8023 82341008.6522667 82242207.1010996 20368602 1403 NA NA NA NA 36806 1 3 905 902 908 157 170 1 3189 "112621-Mix-Std-pos.mzML" 1 5091 5993 5987 748.67412 1007.4453125 0.207283830309499 749.3553 1 5993 TRUE +"1158" 181.049905887963 181.049850463867 181.04997253418 297.169194 291.949002 302.389542 24728891.380253 24712502.3002657 7461554 1428 NA NA NA NA 15435 0 3 396 393 399 101 113 1 1012 "112621-Mix-Std-pos.mzML" 0.879721275687065 2051 2447 2445 297.169194 181.049896240234 0.0532876776851997 297.435366 1 2447 TRUE +"4229" 693.181102944433 693.180603027344 693.181396484375 329.251866 307.578918 343.708554 253149088.295912 253144099.489649 9107625 15100 NA NA NA NA 38392 0 21 433 412 454 408 450 1 4528 "112621-Mix-Std-pos.mzML" 1 2236 2663 2662 324.137736 693.181213378906 0.159315469635912 324.281322 1 2663 TRUE +"488" 124.087078280043 124.087051391602 124.087104797363 832.48656 821.93232 839.71686 643254675.498166 640307081.714018 46021640 267 NA NA NA NA 39454 0 9 1080 1071 1089 134 188 1 5028 "112621-Mix-Std-pos.mzML" 1 5618 6717 6716 838.67904 124.087097167969 0.152215088758691 838.8156 1 6717 TRUE +"353" 116.962070178307 116.962043762207 116.962120056152 447.570012 441.663636 455.334072 38300715.366671 38300700.8418328 2924669.5 2924668 NA NA NA NA 37831 0 3 568 565 571 561 577 1 3634 "112621-Mix-Std-pos.mzML" 0.133190909376657 3070 3636 3635 445.928124 116.962043762207 0.225851846705213 446.063844 1 3636 FALSE +"3064" 394.567539354393 394.567413330078 394.567718505859 125.852244 119.172618 133.414992 12457891.3010857 12457876.220925 979412.5 971216 NA NA NA NA 38294 0 5 197 192 202 189 206 1 4282 "112621-Mix-Std-pos.mzML" 0.209288883193342 884 1085 1080 129.193758 394.567413330078 0.319398587920465 129.8091 1 1085 FALSE +"3249" 409.383629110306 409.383575439453 409.383697509766 798.45294 792.41448 803.67708 125222896.087104 125222884.824504 22936992 22936991 NA NA NA NA 38313 0 3 961 958 964 102 115 1 4414 "112621-Mix-Std-pos.mzML" 1 5408 6363 6358 793.34184 409.383605957031 0.0565564251634289 794.00406 1 6363 TRUE +"337" 116.962190526974 116.96215057373 116.962249755859 585.499998 568.24977 600.93324 75333619.5975388 75333586.0061947 2396871.75 2396871 NA NA NA NA 37831 0 5 722 717 727 703 739 1 3631 "112621-Mix-Std-pos.mzML" 0.177226948223838 4073 4806 4804 595.490124 116.962203979492 0.115015958806865 595.74765 1 4806 FALSE +"4407" 710.207724454158 710.207580566406 710.207885742188 767.27478 755.8023 772.52448 281138855.125481 281138837.523186 33153350 16574674 NA NA NA NA 38402 0 3 925 922 928 912 931 1 4705 "112621-Mix-Std-pos.mzML" 1 5244 6172 6169 769.788 710.207885742188 0.22709979656771 770.15232 1 6172 TRUE +"4229" 693.181102944433 693.180603027344 693.181396484375 329.251866 307.578918 343.708554 253149088.295912 253144099.489649 9107625 15100 NA NA NA NA 38392 0 21 433 412 454 408 450 1 4528 "112621-Mix-Std-pos.mzML" 1 2224 2649 2648 322.55019 693.181213378906 0.159315469635912 322.693764 1 2649 TRUE +"355" 116.962161735654 116.96208190918 116.962219238281 765.47388 749.46408 775.90596 56916919.4019698 56916892.133781 2495210.75 2495210 NA NA NA NA 37831 0 11 923 912 934 903 935 1 3641 "112621-Mix-Std-pos.mzML" 0.394274538013731 5277 6210 6204 774.15558 116.962181091309 0.165486462098935 774.8745 1 6210 FALSE +"348" 116.962179814881 116.962127685547 116.962226867676 412.955484 405.07398 422.868564 49672959.7601538 49672941.0758406 2788807 2753994 NA NA NA NA 37831 0 5 529 524 534 520 540 1 3625 "112621-Mix-Std-pos.mzML" 0.140364913827136 2862 3393 3390 414.772362 116.962181091309 0.0109131642796129 415.154118 1 3393 FALSE +"4394" 710.207955560318 710.207702636719 710.208435058594 577.346844 566.453892 586.468944 89503682.7688309 89503661.8440038 5584779.5 5584778 NA NA NA NA 38402 0 7 713 706 720 701 723 1 4684 "112621-Mix-Std-pos.mzML" 1 3983 4701 4699 581.930736 710.2080078125 0.0735730737409991 582.188526 1 4701 TRUE +"1327" 204.138681962859 204.138580322266 204.138946533203 714.60618 706.39704 722.96436 9570458.05006276 8936448.34246252 1846335.875 60 NA NA NA NA 35271 0 5 863 858 868 267 286 1 2745 "112621-Mix-Std-pos.mzML" 1 4842 5703 5700 712.87494 204.138717651367 0.174824816888302 713.24922 1 5703 TRUE +"2403" 345.571373886851 345.571228027344 345.571563720703 338.639574 333.568596 343.708554 5519469.67131183 5511659.10170433 1534446.75 354 NA NA NA NA 16638 1 3 444 441 447 98 110 1 1210 "112621-Mix-Std-pos.mzML" 0.789351084370073 2332 2775 2774 337.831242 345.571228027344 0.422082146820886 337.969794 1 2775 TRUE +"3311" 419.31630078461 419.316009521484 419.316589355469 275.757876 272.357532 281.004792 5262489.31127495 5222970.44871528 641769.8125 130 NA NA NA NA 38324 0 3 371 368 374 367 377 1 4447 "112621-Mix-Std-pos.mzML" 1 1925 2300 2298 279.21633 419.316314697266 0.0331793810723244 279.485238 1 2300 TRUE +"1545" 239.106498047818 239.1064453125 239.106567382812 59.2672884 55.9895172 63.45429 65780299.871175 65779545.6815473 25520616 20486 NA NA NA NA 4292 0 3 117 114 120 99 108 1 385 "112621-Mix-Std-pos.mzML" 1 368 483 478 57.61881 239.106506347656 0.0347118895718669 58.2059862 1 483 TRUE +"998" 163.039218470629 163.039154052734 163.039291381836 297.169194 291.949002 302.389542 159518195.43908 159384394.546605 46056800 4201 NA NA NA NA 20276 0 3 396 393 399 106 118 1 1415 "112621-Mix-Std-pos.mzML" 0.854665814286992 2034 2427 2424 294.468438 163.039260864258 0.26002104997945 294.796842 1 2427 TRUE +"4905" 1076.31064153646 1076.31005859375 1076.31103515625 782.00022 774.15558 789.80868 35201949.0038674 35056951.5883198 9981914 468 NA NA NA NA 38441 0 5 942 937 947 124 142 1 4970 "112621-Mix-Std-pos.mzML" 1 5307 6245 6239 778.59498 1076.310546875 0.0879499451098 779.40546 1 6245 TRUE +"4224" 693.181121461712 693.181030273438 693.181213378906 677.67456 672.19974 683.24178 40121560.5969502 40119947.2591487 4146438.5 6874 NA NA NA NA 38392 0 3 823 820 826 817 829 1 4538 "112621-Mix-Std-pos.mzML" 1 4577 5394 5392 672.19974 693.18115234375 0.0445511822275131 672.47232 1 5394 TRUE +"336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.367601535816109 3430 4056 4055 499.197606 116.962173461914 0.0948014546240532 499.334172 1 4056 FALSE +"4049" 630.134585817354 630.134399414062 630.137573242188 338.639574 335.218674 342.794274 2447900.23640651 2447893.50253985 999358.1875 999357 NA NA NA NA 16361 1 3 444 441 447 99 108 1 1174 "112621-Mix-Std-pos.mzML" 0.659710143556856 2344 2789 2788 339.496614 630.134704589844 0.188487495010045 339.638196 1 2789 TRUE +"339" 116.96213583239 116.962097167969 116.962173461914 275.757876 273.211956 280.127796 22289582.44968 22289574.66936 3001595.5 3001594 NA NA NA NA 37831 0 3 371 368 374 368 376 1 3651 "112621-Mix-Std-pos.mzML" 0.385860522822 1932 2308 2305 280.127796 116.962142944336 0.0608055373713343 280.502544 1 2308 FALSE +"235" 113.963974277504 113.96395111084 113.963989257812 701.81532 696.32448 707.33184 17663461.9761601 17663450.0515201 1590812.25 1590811 NA NA NA NA 37820 0 3 849 846 852 843 855 1 3571 "112621-Mix-Std-pos.mzML" 0.830448550067626 4768 5617 5616 701.81532 113.963966369629 0.0693892566209124 701.9511 1 5617 TRUE +"330" 116.962187307174 116.962120056152 116.962242126465 711.9573 694.37538 722.96436 59256930.7473248 59256901.2649392 2293238.25 2293237 NA NA NA NA 37831 0 5 860 855 865 841 873 1 3627 "112621-Mix-Std-pos.mzML" 0.315605871532843 4901 5772 5770 721.36992 116.96223449707 0.403462837212645 721.60104 1 5772 FALSE +"73" 105.954037601612 105.95401763916 105.954055786133 374.449284 371.788596 383.84658 7190816.68183631 7190803.76256773 626541.875 586772 NA NA NA NA 37801 0 3 485 482 488 482 496 1 3498 "112621-Mix-Std-pos.mzML" 0.398257799045632 2582 3066 3061 373.5327 105.954048156738 0.099619859481859 374.1879 1 3066 FALSE +"2130" 315.19627706384 315.196075439453 315.196624755859 708.22302 699.96222 716.34762 2243829.31352422 2020936.30892383 419767.625 39 NA NA NA NA 34148 1 5 856 851 861 109 127 1 2313 "112621-Mix-Std-pos.mzML" 0.863061950216948 4809 5664 5658 707.33184 315.196075439453 0.63967883470728 708.08676 1 5664 TRUE +"322" 116.962143353853 116.962104797363 116.962173461914 79.109688 73.366812 89.860878 85723358.1468938 85723340.8281245 5532441.5 5532440 NA NA NA NA 37831 0 7 141 134 148 134 154 1 3642 "112621-Mix-Std-pos.mzML" 0.352444217604826 484 619 618 74.115162 116.962104797363 0.329649304674107 74.250924 1 619 FALSE +"34" 103.955818801738 103.955787658691 103.955879211426 576.486246 570.959748 580.982448 11476158.4690704 11476147.5352159 1129094.75 1129094 NA NA NA NA 37798 0 3 712 709 715 706 717 1 3437 "112621-Mix-Std-pos.mzML" 0.926085088126455 3925 4633 4629 572.87115 103.95580291748 0.152798155900777 573.37488 1 4633 TRUE +"4208" 693.181303033378 693.180969238281 693.181518554688 622.79316 614.6313 630.10008 65078592.1893452 65076383.2004431 4595294.5 7619 NA NA NA NA 38392 0 5 763 758 768 754 771 1 4544 "112621-Mix-Std-pos.mzML" 1 4252 5015 5014 622.79316 693.181396484375 0.134814652643347 622.93686 1 5015 TRUE +"4546" 715.163202262687 715.162902832031 715.163391113281 370.950972 364.767018 378.759876 35256535.32529 35256520.4578784 3035462.75 2874174 NA NA NA NA 38407 0 5 481 476 486 474 490 1 4822 "112621-Mix-Std-pos.mzML" 1 2573 3056 3054 372.66033 715.163391113281 0.264066430256483 372.898314 1 3056 TRUE +"4383" 710.207817864426 710.207702636719 710.207885742188 303.264486 296.314356 307.578918 66079925.1341575 66079913.0030907 6845788 6845787 NA NA NA NA 38402 0 3 403 400 406 395 408 1 4696 "112621-Mix-Std-pos.mzML" 1 2116 2523 2522 306.69057 710.207946777344 0.181514360267532 306.834162 1 2523 TRUE +"2423" 348.990870195785 348.990692138672 348.991058349609 619.2072 613.73544 626.43528 8342635.98416525 7981619.19338913 1091904.875 30 NA NA NA NA 35012 1 3 759 756 762 282 296 1 2630 "112621-Mix-Std-pos.mzML" 0.889980602087821 4220 4977 4972 617.43048 348.990692138672 0.51020564853178 618.09198 1 4977 TRUE +"835" 150.102743975273 150.10270690918 150.102783203125 822.78378 821.73084 825.7827 9675716.3677882 9675711.9782732 2666172.25 2666171 NA NA NA NA 39521 0 3 1050 1047 1053 127 139 1 5077 "112621-Mix-Std-pos.mzML" 0.983644801761891 5537 6586 6584 822.48582 150.102767944336 0.159684373069014 822.71412 1 6586 TRUE +"2633" 374.053696526901 374.053466796875 374.053863525391 125.852244 121.614252 129.193758 6560691.2788207 6560682.85714737 951157.9375 951157 NA NA NA NA 38257 0 3 197 194 200 192 201 1 4001 "112621-Mix-Std-pos.mzML" 0.40887216265034 877 1077 1073 128.319948 374.053649902344 0.124646694480969 128.8185 1 1077 FALSE +"4390" 710.208045704211 710.207885742188 710.208251953125 594.622746 590.959974 599.113272 37507383.5144848 37507374.4552648 5553052 5553051 NA NA NA NA 38402 0 3 732 729 735 728 737 1 4703 "112621-Mix-Std-pos.mzML" 1 4088 4823 4818 597.311214 710.208068847656 0.0325868525678444 597.9459 1 4823 TRUE +"58" 103.955703939176 103.955665588379 103.955757141113 447.570012 442.508988 453.67107 16291462.767834 16291450.7471303 1699299.75 1699299 NA NA NA NA 37798 0 3 568 565 571 562 575 1 3408 "112621-Mix-Std-pos.mzML" 0.942776117167745 3065 3630 3628 445.117338 103.95573425293 0.291602597830475 445.371792 1 3630 TRUE +"884" 153.138864935078 153.138824462891 153.138900756836 210.974466 191.824608 233.80287 38220942.7773959 37946084.4632211 1250519.25 83 NA NA NA NA 37973 0 9 296 287 305 250 299 1 3794 "112621-Mix-Std-pos.mzML" 0.891545906373598 1420 1711 1710 206.549568 153.13883972168 0.164644021510942 206.686146 1 1711 TRUE +"1037" 165.991238776833 165.991180419922 165.991333007812 23.072232 20.9739168 29.030976 14256076.4071459 13436864.1177854 2774198.25 16 NA NA NA NA 35251 1 3 71 68 74 68 79 1 2728 "112621-Mix-Std-pos.mzML" 0.333689186050086 151 230 226 29.030976 165.991409301758 1.02731280181439 29.4566028 1 230 FALSE +"1413" 217.159261879455 217.159240722656 217.15934753418 721.36992 717.16692 726.38172 35985601.0137728 35912457.2388921 15078206 1465 NA NA NA NA 34884 0 3 871 868 874 99 110 1 2579 "112621-Mix-Std-pos.mzML" 1 4897 5767 5763 720.61788 217.159240722656 0.0974252654697473 721.03356 1 5767 TRUE +"24" 103.955807204031 103.955795288086 103.955833435059 233.010894 228.530796 236.424492 9405416.51497867 9405407.74420534 1143391.125 1143390 NA NA NA NA 37798 0 3 322 319 325 317 326 1 3428 "112621-Mix-Std-pos.mzML" 0.918527121557341 1609 1931 1927 233.010894 103.955795288086 0.114625101365778 233.472486 1 1931 TRUE +"4384" 710.207880512326 710.207641601562 710.211791992188 35.937783 20.2441728 51.7259328 144319527.986323 144319496.504563 7153124.5 7153124 NA NA NA NA 38402 0 23 88 65 111 66 108 1 4660 "112621-Mix-Std-pos.mzML" 1 227 319 317 39.1127064 710.207885742188 0.00736384553640281 39.3276348 1 319 TRUE +"1844" 280.264123779974 280.263549804688 280.264190673828 758.39742 753.60036 763.70634 5718592.32794752 5662992.26294636 1462414.25 168 NA NA NA NA 38204 0 3 915 912 918 100 112 1 3891 "112621-Mix-Std-pos.mzML" 0.880010049718773 5161 6075 6071 757.56852 280.26416015625 0.129792838150359 758.0142 1 6075 TRUE +"354" 116.962147021599 116.96208190918 116.962203979492 126.713472 115.7295 133.414992 76904626.540291 76904608.0126328 4405880 4405879 NA NA NA NA 37831 0 5 198 193 203 185 206 1 3635 "112621-Mix-Std-pos.mzML" 0.342613581122423 863 1061 1059 126.713472 116.962203979492 0.486977154564348 126.927774 1 1061 FALSE +"3575" 468.390456645142 468.390319824219 468.390533447266 742.3614 736.93266 750.14112 9317883.6025549 9026154.60054058 1651192 138 NA NA NA NA 35389 0 3 895 892 898 255 270 1 2802 "112621-Mix-Std-pos.mzML" 0.936271876995383 5079 5979 5973 746.87286 468.390228271484 0.487571115590012 747.63234 1 5979 TRUE +"4205" 693.181048724699 693.180541992188 693.181335449219 447.570012 446.710164 449.21709 25841047.2522116 25840596.4415915 8569556 14208 NA NA NA NA 38392 0 33 568 535 601 567 570 1 4524 "112621-Mix-Std-pos.mzML" 1 3088 3657 3656 448.413816 693.1806640625 0.554923132652001 448.557396 1 3657 TRUE +"3312" 419.316580552849 419.316497802734 419.316650390625 722.96436 717.16692 729.74796 37645135.8200624 37589381.5030012 4350962 887 NA NA NA NA 38324 0 3 873 870 876 866 881 1 4424 "112621-Mix-Std-pos.mzML" 1 4888 5757 5756 719.81046 419.316528320312 0.124565874562321 719.95014 1 5757 TRUE +"4208" 693.181303033378 693.180969238281 693.181518554688 622.79316 614.6313 630.10008 65078592.1893452 65076383.2004431 4595294.5 7619 NA NA NA NA 38392 0 5 763 758 768 754 771 1 4544 "112621-Mix-Std-pos.mzML" 1 4202 4956 4951 614.6313 693.181213378906 0.129337695304767 615.27348 1 4956 TRUE +"4570" 715.163254099852 715.1630859375 715.163391113281 676.7544 656.58264 704.54232 69578299.1122545 69578250.230273 1954280.125 1920786 NA NA NA NA 38407 0 13 822 809 835 800 852 1 4800 "112621-Mix-Std-pos.mzML" 1 4774 5624 5623 702.70656 715.163269042969 0.0208946926819142 702.85014 1 5624 TRUE +"4405" 710.207819658852 710.207763671875 710.207946777344 677.67456 672.19974 684.18426 45189219.9174853 45189207.0110791 4370560.5 4370560 NA NA NA NA 38402 0 3 823 820 826 817 830 1 4681 "112621-Mix-Std-pos.mzML" 1 4643 5471 5469 682.3158 710.207885742188 0.0930478844337844 682.58898 1 5471 TRUE +"1161" 181.072319077414 181.072265625 181.072418212891 218.284896 214.338342 223.402842 658854359.939441 658854350.050895 251710320 251710319 NA NA NA NA 13713 0 3 305 302 308 100 111 1 830 "112621-Mix-Std-pos.mzML" 0.00537195305257066 1506 1811 1808 218.284896 181.072296142578 0.126661193629649 218.622102 1 1811 FALSE +"2221" 327.078749301225 327.078704833984 327.078765869141 152.201832 147.940452 158.167134 17062926.4978116 16990386.8322845 1779015 184 NA NA NA NA 38225 0 3 228 225 231 223 235 1 3929 "112621-Mix-Std-pos.mzML" 0.84334705241001 1049 1278 1276 153.045678 327.078735351562 0.0426492475867067 153.307128 1 1278 TRUE +"333" 116.962179849084 116.96215057373 116.962203979492 233.010894 226.823238 237.332574 32161734.5353591 32161723.1502451 2956433.25 2956432 NA NA NA NA 37831 0 3 322 319 325 315 327 1 3650 "112621-Mix-Std-pos.mzML" 0.142092967190484 1597 1917 1913 231.264216 116.962203979492 0.206309492610889 231.722826 1 1917 FALSE +"4568" 715.163066935291 715.162902832031 715.163269042969 566.453892 560.076294 571.943166 23668812.5841793 23668799.804471 2325535.25 2325534 NA NA NA NA 38407 0 3 701 698 704 694 707 1 4838 "112621-Mix-Std-pos.mzML" 1 3865 4563 4559 563.81274 715.163024902344 0.0587739351304856 564.27792 1 4563 TRUE +"1648" 252.997773212406 252.997650146484 252.997848510742 619.2072 613.73544 626.43528 10852988.9494603 10229620.0528024 1463932.5 28 NA NA NA NA 35283 1 3 759 756 762 283 297 1 2752 "112621-Mix-Std-pos.mzML" 0.801909743790259 4261 5025 5021 623.66706 252.997833251953 0.23731255221016 624.18222 1 5025 TRUE +"4372" 710.207820470465 710.207702636719 710.2080078125 499.197606 495.637944 503.70723 46933072.7872057 46933063.8213324 6741982.5 6741982 NA NA NA NA 38402 0 3 626 623 629 622 631 1 4667 "112621-Mix-Std-pos.mzML" 1 3418 4042 4041 497.460924 710.207885742188 0.0919051031159651 497.604606 1 4042 TRUE +"316" 116.962201680586 116.962181091309 116.962219238281 688.87824 684.18426 693.46494 20469225.1182179 20469214.9094699 2075236.75 2075236 NA NA NA NA 37831 0 3 835 832 838 830 840 1 3671 "112621-Mix-Std-pos.mzML" 0.346463487208635 4667 5499 5497 685.98438 116.962203979492 0.0196551212262219 686.37846 1 5499 FALSE +"744" 144.982376836758 144.981811523438 144.982498168945 772.52448 721.36992 803.67708 88235714.21792 88235631.91076 1736307.5 1736306 NA NA NA NA 37944 0 27 931 904 958 871 967 1 3740 "112621-Mix-Std-pos.mzML" 0.676291178666466 5370 6319 6316 788.1705 144.982376098633 0.00509113627827522 788.52102 1 6319 TRUE +"1002" 163.111988177123 163.111938476562 163.112182617188 491.188692 483.063222 499.197606 4890554.21240718 3873503.83911025 1022341.125 22 NA NA NA NA 34805 0 5 617 612 622 138 156 1 2563 "112621-Mix-Std-pos.mzML" 0.587832018620778 3366 3981 3978 489.303306 163.111999511719 0.0694896562948891 489.705756 1 3981 TRUE +"882" 153.138870788979 153.138793945312 153.13899230957 782.88768 722.96436 803.67708 35445816.7370842 34927908.8992459 640807.0625 37 NA NA NA NA 37973 0 21 943 922 964 849 943 1 3797 "112621-Mix-Std-pos.mzML" 0.507617147067575 5072 5971 5966 745.90356 153.138854980469 0.10322990052214 746.6259 1 5971 TRUE +"4195" 693.181065815826 693.180603027344 693.181335449219 112.460274 90.705714 136.883406 345631735.304489 345625394.104537 9416165 15611 NA NA NA NA 38392 0 21 181 160 202 155 210 1 4527 "112621-Mix-Std-pos.mzML" 1 904 1109 1108 132.653454 693.181091308594 0.0367764911748273 132.797028 1 1109 TRUE +"882" 153.138870788979 153.138793945312 153.13899230957 782.88768 722.96436 803.67708 35445816.7370842 34927908.8992459 640807.0625 37 NA NA NA NA 37973 0 21 943 922 964 849 943 1 3797 "112621-Mix-Std-pos.mzML" 0.504841114896633 5240 6167 6162 768.8805 153.138900756836 0.195690725910966 769.5357 1 6167 TRUE +"3038" 394.567578639671 394.567321777344 394.567810058594 246.991656 200.50002 250.462656 30249741.0265829 30249690.2025221 801169.0625 801168 NA NA NA NA 38294 0 19 338 319 357 284 342 1 4263 "112621-Mix-Std-pos.mzML" 0.284830917304596 1531 1840 1836 221.604618 394.567626953125 0.122446589924751 222.146142 1 1840 FALSE +"325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.124247989312552 1218 1475 1472 177.026742 116.962135314941 0.376621069845959 177.408798 1 1475 FALSE +"2584" 371.102217727502 371.101989746094 371.104309082031 758.39742 753.60036 763.70634 3355277.36323652 3328728.72647391 996368.9375 155 NA NA NA NA 36991 0 3 915 912 918 100 112 1 3271 "112621-Mix-Std-pos.mzML" 0.557199010999702 5162 6076 6071 757.56852 371.102142333984 0.203161054790698 758.1462 1 6076 TRUE +"3155" 396.067369767109 396.067138671875 396.068908691406 26.117982 20.2441728 41.523807 24577829.8047458 24577808.5251116 1684485.25 1684484 NA NA NA NA 38298 0 7 75 68 82 66 95 1 4352 "112621-Mix-Std-pos.mzML" 0.299599522878859 129 204 198 26.117982 396.0673828125 0.0329373037314301 26.8296462 1 204 FALSE +"3451" 443.335040197236 443.332580566406 443.335601806641 755.0475 747.75258 763.70634 8199211.26906731 8121304.22671472 1134353.75 103 NA NA NA NA 36791 1 5 911 906 916 95 115 1 3175 "112621-Mix-Std-pos.mzML" 0.782351506159476 5153 6066 6064 756.64734 443.335144042969 0.234237593291805 756.924 1 6066 TRUE +"2763" 375.553982380921 375.553619384766 375.555297851562 23.072232 20.2441728 27.67011 13972777.3314834 13972769.9055462 3165640 3165639 NA NA NA NA 38261 1 3 71 68 74 66 77 1 4083 "112621-Mix-Std-pos.mzML" 0.243232710681052 87 155 149 20.9739168 375.553985595703 0.00856010777996085 21.6304548 1 155 FALSE +"4388" 710.207750497219 710.207641601562 710.207885742188 79.91919 71.654064 86.464872 81481110.97787 81481095.3442393 6640350.5 6640350 NA NA NA NA 38402 0 5 142 137 147 132 150 1 4686 "112621-Mix-Std-pos.mzML" 1 543 687 681 81.526746 710.207824707031 0.104490288330273 82.274178 1 687 TRUE +"2625" 374.053813163231 374.053619384766 374.054016113281 222.519018 218.284896 225.9444 3703629.6231025 3703621.1125425 539039.375 539038 NA NA NA NA 38257 1 3 310 307 313 305 314 1 4020 "112621-Mix-Std-pos.mzML" 0.420415504094326 1545 1856 1850 223.402842 374.053619384766 0.518049698803431 224.099046 1 1856 FALSE +"4220" 693.181231587142 693.181091308594 693.181335449219 691.61142 685.09428 710.0616 79606208.1134132 79602716.0663987 3837063.75 5708 NA NA NA NA 38392 0 5 838 833 843 831 858 1 4553 "112621-Mix-Std-pos.mzML" 1 4793 5646 5644 705.46602 693.18115234375 0.114318433162195 705.76422 1 5646 TRUE +"119" 105.954028633563 105.954010009766 105.954040527344 351.631116 347.216796 357.707424 6337365.42655122 6337354.06170422 623246.5 623246 NA NA NA NA 37801 0 3 459 456 462 454 466 1 3476 "112621-Mix-Std-pos.mzML" 0.463940499809452 2454 2917 2914 354.988572 105.954025268555 0.0317591331008459 355.373448 1 2917 FALSE +"3300" 419.316437840557 419.316009521484 419.318176269531 36.7767408 11.8820052 93.193794 32432984.2515918 32106330.8083023 870918.6875 159 NA NA NA NA 38324 0 23 89 66 112 37 158 1 4421 "112621-Mix-Std-pos.mzML" 1 573 722 716 85.644996 419.316375732422 0.148117577714184 86.34045 1 722 TRUE +"4216" 693.181083628211 693.180847167969 693.181274414062 180.522438 173.60319 191.824608 143112510.694433 143109936.155614 8974388 14588 NA NA NA NA 38392 0 5 261 256 266 253 274 1 4539 "112621-Mix-Std-pos.mzML" 1 1278 1545 1542 185.674236 693.181091308594 0.0110799076565201 186.095928 1 1545 TRUE +"315" 116.962153856703 116.962127685547 116.962181091309 398.836758 391.803024 405.07398 37313813.6120921 37313799.4564057 2765079 2765078 NA NA NA NA 37831 0 5 513 508 518 505 520 1 3654 "112621-Mix-Std-pos.mzML" 0.376095679762577 2765 3280 3278 400.518108 116.96215057373 0.028068677073283 400.840608 1 3280 FALSE +"322" 116.962143353853 116.962104797363 116.962173461914 79.109688 73.366812 89.860878 85723358.1468938 85723340.8281245 5532441.5 5532440 NA NA NA NA 37831 0 7 141 134 148 134 154 1 3642 "112621-Mix-Std-pos.mzML" 0.0554359299279456 483 617 611 73.366812 116.962104797363 0.329649304674107 73.99197 1 617 FALSE +"1488" 228.232729174066 228.232666015625 228.232833862305 745.01754 739.59168 750.79302 5847850.49484279 5113189.59666418 1281423.125 25 NA NA NA NA 35385 0 3 898 895 901 423 436 1 2799 "112621-Mix-Std-pos.mzML" 1 5058 5955 5952 744.13626 228.232757568359 0.124409383783571 744.4995 1 5955 TRUE +"4224" 693.181121461712 693.181030273438 693.181213378906 677.67456 672.19974 683.24178 40121560.5969502 40119947.2591487 4146438.5 6874 NA NA NA NA 38392 0 3 823 820 826 817 829 1 4538 "112621-Mix-Std-pos.mzML" 1 4613 5436 5434 677.67456 693.181091308594 0.0434996234858554 677.94054 1 5436 TRUE +"4370" 710.207834256406 710.207580566406 710.2080078125 492.9333 485.760828 495.637944 54784072.1919775 54784061.4169418 6029825.5 5999048 NA NA NA NA 38402 1 3 619 616 622 611 622 1 4701 "112621-Mix-Std-pos.mzML" 1 3382 4000 3999 492.052896 710.207580566406 0.357205295553777 492.196548 1 4000 TRUE +"3038" 394.567578639671 394.567321777344 394.567810058594 246.991656 200.50002 250.462656 30249741.0265829 30249690.2025221 801169.0625 801168 NA NA NA NA 38294 0 19 338 319 357 284 342 1 4263 "112621-Mix-Std-pos.mzML" 0.278582181438696 1573 1889 1885 227.6238 394.567749023438 0.431824042884407 228.164142 1 1889 FALSE +"60" 103.95582172594 103.955795288086 103.955856323242 413.877864 407.620086 419.282754 15454703.9829345 15454691.4231381 1339073.125 1339072 NA NA NA NA 37798 1 3 530 527 533 523 536 1 3435 "112621-Mix-Std-pos.mzML" 0.930172725592126 2830 3356 3355 410.327964 103.955787658691 0.327708903500597 410.54814 1 3356 TRUE +"764" 144.982369121955 144.982330322266 144.982437133789 256.528452 250.462656 264.339186 19386227.864373 19386213.1205599 1816344 1816343 NA NA NA NA 37944 0 5 349 344 354 342 358 1 3748 "112621-Mix-Std-pos.mzML" 0.691559717392693 1818 2175 2172 263.519478 144.982376098633 0.0481208673661084 263.851158 1 2175 TRUE +"3315" 419.316387700819 419.316162109375 419.316467285156 677.67456 662.01234 705.46602 22251484.9106858 22067109.4260004 775259.8125 122 NA NA NA NA 38324 0 9 823 814 832 806 853 1 4437 "112621-Mix-Std-pos.mzML" 1 4597 5417 5413 674.91036 419.31640625 0.0442367183353887 675.44628 1 5417 TRUE +"4195" 693.181065815826 693.180603027344 693.181335449219 112.460274 90.705714 136.883406 345631735.304489 345625394.104537 9416165 15611 NA NA NA NA 38392 0 21 181 160 202 155 210 1 4527 "112621-Mix-Std-pos.mzML" 1 754 934 933 111.6063 693.180908203125 0.227375947170409 111.749874 1 934 TRUE +"218" 113.963944505501 113.963897705078 113.963996887207 82.395588 65.072832 104.019576 331015816.912758 331015777.13736 9965558 9965557 NA NA NA NA 37820 0 21 145 124 166 124 171 1 3528 "112621-Mix-Std-pos.mzML" 1 688 857 856 102.444066 113.963928222656 0.142877155819531 102.579828 1 857 TRUE +"4411" 710.20800953954 710.207702636719 710.208312988281 620.12328 619.2072 637.32966 78150696.6505742 78150677.6219912 4764382.5 4764382 NA NA NA NA 38402 0 13 760 747 773 759 779 1 4666 "112621-Mix-Std-pos.mzML" 1 4246 5008 5007 621.90468 710.208190917969 0.255387754530749 622.04832 1 5008 TRUE +"2767" 375.553708566198 375.553436279297 375.554107666016 92.314068 89.014944 96.520716 5061678.98291508 5061670.64316841 709992.0625 709991 NA NA NA NA 38261 1 3 157 154 160 153 162 1 4119 "112621-Mix-Std-pos.mzML" 0.278051506256101 613 769 765 91.498398 375.553802490234 0.2500948175051 91.950738 1 769 FALSE +"1712" 259.242717553151 259.242645263672 259.242828369141 798.45294 792.41448 803.67708 3468878.7965567 3459038.32637854 618922.8125 158 NA NA NA NA 38184 0 3 961 958 964 100 113 1 3878 "112621-Mix-Std-pos.mzML" 0.738802657253287 5451 6413 6407 799.36854 259.242767333984 0.192024036807286 800.1054 1 6413 TRUE +"332" 116.962146721136 116.962127685547 116.962181091309 241.74447 237.332574 246.095598 26927574.6275436 26927564.9882172 3056984 3056983 NA NA NA NA 37831 0 3 332 329 335 327 337 1 3662 "112621-Mix-Std-pos.mzML" 0.37897570008794 1637 1964 1962 237.332574 116.962188720703 0.359086837613655 237.554676 1 1964 FALSE +"4415" 710.207868420118 710.207702636719 710.2080078125 662.92254 654.61218 670.2528 60873897.5039612 60873880.9433048 4633332 4633331 NA NA NA NA 38402 0 5 807 802 812 798 815 1 4685 "112621-Mix-Std-pos.mzML" 1 4535 5345 5343 665.65362 710.207885742188 0.0243901401199576 666.01776 1 5345 TRUE +"2609" 374.053578387252 374.053253173828 374.0537109375 132.653454 129.193758 136.068306 5983092.27707775 5983084.54321125 896286.125 896285 NA NA NA NA 38257 0 3 205 202 208 201 209 1 3986 "112621-Mix-Std-pos.mzML" 0.182969812617073 909 1114 1108 132.653454 374.053649902344 0.191189432427364 133.291662 1 1114 FALSE +"2222" 327.078739834249 327.078674316406 327.078826904297 731.5659 719.81046 736.93266 235318840.98126 235201127.133612 22530844 1362 NA NA NA NA 38225 0 3 883 880 886 869 889 1 3945 "112621-Mix-Std-pos.mzML" 0.942395223854138 4894 5764 5763 720.61788 327.078826904297 0.266205160162462 720.75642 1 5764 TRUE +"4212" 693.181115806899 693.180969238281 693.181274414062 245.236656 240.802224 251.32227 83431224.9267456 83429687.8567943 9645783 15992 NA NA NA NA 38392 0 3 336 333 339 331 343 1 4530 "112621-Mix-Std-pos.mzML" 1 1720 2061 2060 249.66162 693.181030273438 0.123392660002148 249.805272 1 2061 TRUE +"317" 116.962133296178 116.962112426758 116.96215057373 261.825702 257.402778 266.154306 27216986.9087016 27216977.2820208 3008548 3008547 NA NA NA NA 37831 0 3 355 352 358 350 360 1 3663 "112621-Mix-Std-pos.mzML" 0.373986453050899 1813 2169 2165 262.631328 116.962142944336 0.0824895894262954 263.135796 1 2169 FALSE +"356" 116.96218000487 116.96216583252 116.962196350098 654.61218 649.13784 660.1842 24763769.4307899 24763757.4638999 2174903.5 2174902 NA NA NA NA 37831 0 3 798 795 801 792 804 1 3647 "112621-Mix-Std-pos.mzML" 0.348922684352807 4471 5270 5266 655.52436 116.962181091309 0.0092888007738686 656.18652 1 5270 FALSE +"353" 116.962070178307 116.962043762207 116.962120056152 447.570012 441.663636 455.334072 38300715.366671 38300700.8418328 2924669.5 2924668 NA NA NA NA 37831 0 3 568 565 571 561 577 1 3634 "112621-Mix-Std-pos.mzML" 0.347156360760484 3052 3615 3614 443.333592 116.962173461914 0.883052149552079 443.469438 1 3615 FALSE +"743" 144.982371437867 144.982330322266 144.982421875 31.342587 20.9739168 66.775392 51082366.7330657 51082320.9315905 2275218.5 1422511 NA NA NA NA 37944 0 13 82 69 95 68 126 1 3734 "112621-Mix-Std-pos.mzML" 0.303899155130925 338 448 443 53.353059 144.982345581055 0.178344528267727 53.9735358 1 448 FALSE +"1465" 224.128617610522 224.128479003906 224.128723144531 98.142618 93.193794 103.272444 3079446.09979944 2512628.42972042 883174.1875 21 NA NA NA NA 13735 0 3 164 161 167 102 114 1 837 "112621-Mix-Std-pos.mzML" 0.490224467262005 655 818 814 97.351794 224.128555297852 0.278021929549366 97.78728 1 818 FALSE +"2222" 327.078739834249 327.078674316406 327.078826904297 731.5659 719.81046 736.93266 235318840.98126 235201127.133612 22530844 1362 NA NA NA NA 38225 0 3 883 880 886 869 889 1 3945 "112621-Mix-Std-pos.mzML" 0.0444202575691271 4904 5775 5770 721.36992 327.078826904297 0.266205160162462 721.84728 1 5775 FALSE +"2724" 375.553530333328 375.553344726562 375.553771972656 35.1419298 27.67011 40.6209354 16652452.5036392 16652438.7910005 1456899.75 1430680 NA NA NA NA 38261 1 3 87 84 90 77 94 1 4109 "112621-Mix-Std-pos.mzML" 0.279224949202238 229 321 317 39.1127064 375.553527832031 0.00666029387094126 39.5446302 1 321 FALSE +"4564" 715.163193376895 715.162902832031 715.163452148438 524.51703 511.854708 543.327408 68124392.5089524 68124360.1370324 2638633.25 2638632 NA NA NA NA 38407 0 7 654 647 661 640 675 1 4806 "112621-Mix-Std-pos.mzML" 1 3700 4371 4370 539.728242 715.1630859375 0.150230599477031 539.871852 1 4371 TRUE +"4400" 710.207968051065 710.207885742188 710.208129882812 610.96128 607.36614 615.54048 36795343.7435601 36795334.6609601 4733690 4733689 NA NA NA NA 38402 0 3 750 747 753 746 755 1 4704 "112621-Mix-Std-pos.mzML" 1 4172 4921 4916 610.03056 710.208129882812 0.227865293929827 610.69878 1 4921 TRUE +"766" 144.982355750275 144.982284545898 144.982421875 120.833574 115.7295 125.852244 13426707.2049994 13426696.2386934 1600783.625 1402557 NA NA NA NA 37944 0 3 191 188 194 185 197 1 3760 "112621-Mix-Std-pos.mzML" 0.217673565479515 812 1001 996 119.172618 144.982345581055 0.07014108654452 119.751996 1 1001 FALSE +"2218" 327.078684501818 327.078582763672 327.078735351562 220.72959 216.928968 225.112698 14558953.2609802 14500011.5595044 1827518.125 197 NA NA NA NA 38225 0 3 308 305 311 303 313 1 3941 "112621-Mix-Std-pos.mzML" 0.831158815900248 1553 1866 1864 225.112698 327.078735351562 0.155466396378162 225.381144 1 1866 TRUE +"747" 144.98238800055 144.982315063477 144.982437133789 181.354044 175.26021 198.86109 27199032.79674 27199008.3217533 1563392.625 1563392 NA NA NA NA 37944 0 7 262 255 269 255 282 1 3755 "112621-Mix-Std-pos.mzML" 0.560775113473995 1309 1581 1577 190.116966 144.982376098633 0.0820921554670392 190.621674 1 1581 TRUE +"4414" 710.207777924407 710.207641601562 710.2080078125 401.45121 397.040682 405.96453 54696409.6850593 54696399.8688265 6669149 6669148 NA NA NA NA 38402 0 3 516 513 519 511 521 1 4669 "112621-Mix-Std-pos.mzML" 1 2770 3286 3285 401.45121 710.207763671875 0.0200681156954049 401.594778 1 3286 TRUE +"4531" 715.163024939979 715.162902832031 715.163208007812 263.519478 260.056602 270.465306 32271477.875888 32271466.599792 3395356 3395355 NA NA NA NA 38407 0 3 357 354 360 353 365 1 4828 "112621-Mix-Std-pos.mzML" 1 1850 2212 2207 267.929748 715.163146972656 0.170636167036332 268.483188 1 2212 TRUE