Mercurial > repos > lecorguille > msnbase_readmsdata
comparison msnbase_readmsdata.r @ 10:0a0164b8c24d draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 6f3e71bbe985b4c6af622c9395762b17416062ca
author | lecorguille |
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date | Tue, 30 Apr 2019 04:06:24 -0400 |
parents | b6ef94529e50 |
children | 226fb89cacc4 |
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9:a874afcb71ca | 10:0a0164b8c24d |
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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 |