Mercurial > repos > lecorguille > xcms_xcmsset

comparison xcms_xcmsSet.r @ 26:9eebe9690ced draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 6f3e71bbe985b4c6af622c9395762b17416062ca
author lecorguille
date Tue, 30 Apr 2019 04:03:46 -0400
parents 9a0ca3f3a847
children 14b1c52fae62
comparison
equal deleted inserted replaced
25:1de8423cd6a9 26:9eebe9690ced
103 xdata@processingData@files <- sub(paste(getwd(), "/", sep="") , "", xdata@processingData@files) 103 xdata@processingData@files <- sub(paste(getwd(), "/", sep="") , "", xdata@processingData@files)
104 104
105 # Create a sampleMetada file 105 # Create a sampleMetada file
106 sampleNamesList <- getSampleMetadata(xdata=xdata, sampleMetadataOutput="sampleMetadata.tsv") 106 sampleNamesList <- getSampleMetadata(xdata=xdata, sampleMetadataOutput="sampleMetadata.tsv")
107 107
108 cat("\t\t\tCompute and Store TIC and BPI\n") 108 #cat("\t\t\tCompute and Store TIC and BPI\n")
109 chromTIC = chromatogram(xdata, aggregationFun = "sum") 109 #chromTIC = chromatogram(xdata, aggregationFun = "sum")
110 chromBPI = chromatogram(xdata, aggregationFun = "max") 110 #chromBPI = chromatogram(xdata, aggregationFun = "max")
111 111
112 cat("\n\n") 112 cat("\n\n")
113 113
114 # ----- EXPORT ----- 114 # ----- EXPORT -----
115 115