Mercurial > repos > lecorguille > msnbase_readmsdata

comparison msnbase_readmsdata.r @ 10:0a0164b8c24d 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 04:06:24 -0400
parents b6ef94529e50
children 226fb89cacc4
comparison
equal deleted inserted replaced
9:a874afcb71ca 10:0a0164b8c24d
74 raw_data@processingData@files <- sub(paste(getwd(), "/", sep="") , "", raw_data@processingData@files) 74 raw_data@processingData@files <- sub(paste(getwd(), "/", sep="") , "", raw_data@processingData@files)
75 75
76 # Create a sampleMetada file 76 # Create a sampleMetada file
77 sampleNamesList <- getSampleMetadata(xdata=raw_data, sampleMetadataOutput="sampleMetadata.tsv") 77 sampleNamesList <- getSampleMetadata(xdata=raw_data, sampleMetadataOutput="sampleMetadata.tsv")
78 78
79 cat("\t\t\tCompute and Store TIC and BPI\n") 79 #cat("\t\t\tCompute and Store TIC and BPI\n")
80 chromTIC <- chromatogram(raw_data, aggregationFun = "sum") 80 #chromTIC <- chromatogram(raw_data, aggregationFun = "sum")
81 chromBPI <- chromatogram(raw_data, aggregationFun = "max") 81 #chromBPI <- chromatogram(raw_data, aggregationFun = "max")
82 82
83 cat("\n\n") 83 cat("\n\n")
84 84
85 # ----- EXPORT ----- 85 # ----- EXPORT -----
86 86