Mercurial > repos > lecorguille > xcms_merge
view xcms_merge.r @ 17:ae28a753a6f8 draft default tip
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit 95721ced8347c09e79340e6d67ecb41c5cc64163
author | workflow4metabolomics |
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date | Mon, 03 Feb 2025 14:45:41 +0000 |
parents | 58b5a4b6e1da |
children |
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#!/usr/bin/env Rscript # 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") loadAndDisplayPackages(pkgs) cat("\n\n") args <- parseCommandArgs(evaluate = FALSE) # interpretation of arguments given in command line as an R list of objects cat("\tXSET MERGING...\n") mergeXDataReturn <- mergeXData(args) xdata <- mergeXDataReturn$xdata singlefile <- mergeXDataReturn$singlefile md5sumList <- mergeXDataReturn$md5sumList sampleNamesList <- mergeXDataReturn$sampleNamesList chromTIC <- mergeXDataReturn$chromTIC chromBPI <- mergeXDataReturn$chromBPI # Create a sampleMetada file sampleNamesList <- getSampleMetadata(xdata = xdata, sampleMetadataOutput = "sampleMetadata.tsv") cat("\n\n") cat("\tXCMSnExp OBJECT INFO\n") print(pData(xdata)) print(xdata) cat("\n\n") cat("\txcmsSet OBJECT INFO\n") # Get the legacy xcmsSet object xset <- getxcmsSetObject(xdata) print(xset@phenoData) print(xset) cat("\n\n") cat("\tSAVE RData\n") # saving R data in .Rdata file to save the variables used in the present tool objects2save <- c("xdata", "zipfile", "singlefile", "md5sumList", "sampleNamesList") # , "chromTIC", "chromBPI") save(list = objects2save[objects2save %in% ls()], file = "merged.RData")