Mercurial > repos > lecorguille > xcms_plot_chromatogram
view xcms_plot_chromatogram.r @ 15:c8bef8f6a1cb draft default tip
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
author | workflow4metabolomics |
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date | Mon, 15 Jul 2024 16:00:15 +0000 |
parents | 8846a03995d3 |
children |
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#!/usr/bin/env Rscript # ----- PACKAGE ----- cat("\tSESSION INFO\n") #Import the different functions source_local <- function(fname) { argv <- commandArgs(trailingOnly = FALSE) base_dir <- dirname(substring(argv[grep("--file=", argv)], 8)) source(paste(base_dir, fname, sep = "/")) } source_local("lib.r") pkgs <- c("xcms", "batch", "RColorBrewer") loadAndDisplayPackages(pkgs) cat("\n\n") # ----- ARGUMENTS ----- cat("\tARGUMENTS INFO\n") args <- parseCommandArgs(evaluate = FALSE) #interpretation of arguments given in command line as an R list of objects write.table(as.matrix(args), col.names = FALSE, quote = FALSE, sep = "\t") cat("\n\n") # ----- PROCESSING INFILE ----- cat("\tARGUMENTS PROCESSING INFO\n") cat("\n\n") # ----- ARGUMENTS PROCESSING ----- cat("\tINFILE PROCESSING INFO\n") mergeXDataReturn <- mergeXData(args) xdata <- mergeXDataReturn$xdata singlefile <- mergeXDataReturn$singlefile md5sumList <- mergeXDataReturn$md5sumList sampleNamesList <- mergeXDataReturn$sampleNamesList chromTIC <- mergeXDataReturn$chromTIC chromBPI <- mergeXDataReturn$chromBPI chromTIC_adjusted <- mergeXDataReturn$chromTIC_adjusted chromBPI_adjusted <- mergeXDataReturn$chromBPI_adjusted cat("\n\n") # ----- MAIN PROCESSING INFO ----- cat("\tMAIN PROCESSING INFO\n") cat("\t\tDRAW GRAPHICS\n") register(SerialParam()) if (!exists("chromTIC") || is.null(chromTIC)) { cat("\t\t\tCompute TIC\n") chromTIC <- chromatogram(xdata, aggregationFun = "sum") } if (!exists("chromBPI") || is.null(chromBPI)) { cat("\t\t\tCompute BPI\n") chromBPI <- chromatogram(xdata, aggregationFun = "max") } if (!is.null(chromTIC_adjusted)) chromTIC <- chromTIC_adjusted if (!is.null(chromBPI_adjusted)) chromBPI <- chromBPI_adjusted getPlotChromatogram(chromTIC, xdata, pdfname = "TICs.pdf", aggregationFun = "sum") getPlotChromatogram(chromBPI, xdata, pdfname = "BPIs.pdf", aggregationFun = "max") cat("\n\n") # ----- EXPORT ----- cat("\tXCMSnExp OBJECT INFO\n") print(xdata) cat("\n\n") cat("\tDONE\n")