Mercurial > repos > lecorguille > xcms_xcmsset

comparison xcms_xcmsSet.r @ 45:6f9224f32a34 draft

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planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 60ad498b7bd01542a69d6603160d36494c97077a
author lecorguille
date Tue, 30 Apr 2019 05:13:39 -0400
parents ceff49826bf2
children b3a1e98a4cc8
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44:ceff49826bf2 45:6f9224f32a34
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