Mercurial > repos > lecorguille > xcms_retcor
diff xcms_retcor.r @ 35:2b0a4c7a4a48 draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 5e066c50d2e4ac6d5796b53331cbd3198ab8c4f9-dirty
| author | lecorguille |
|---|---|
| date | Thu, 05 Apr 2018 18:09:18 -0400 |
| parents | 9714270678a7 |
| children | e309e6af6744 |
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--- a/xcms_retcor.r Tue Apr 03 11:39:48 2018 -0400 +++ b/xcms_retcor.r Thu Apr 05 18:09:18 2018 -0400 @@ -49,6 +49,10 @@ singlefile <- rawFilePath$singlefile directory <- retrieveRawfileInTheWorkingDirectory(singlefile, zipfile) +cat("\t\t\tCompute and Store TIC and BPI\n") +chromTIC_adjusted = chromatogram(xdata, aggregationFun = "sum") +chromBPI_adjusted = chromatogram(xdata, aggregationFun = "max") + cat("\n\n") @@ -89,7 +93,7 @@ cat("\n\n") #saving R data in .Rdata file to save the variables used in the present tool -objects2save = c("xdata","zipfile","singlefile","md5sumList","sampleNamesList") +objects2save = c("xdata","zipfile","singlefile","md5sumList","sampleNamesList", "chromTIC", "chromBPI", "chromTIC_adjusted", "chromBPI_adjusted") save(list=objects2save[objects2save %in% ls()], file="retcor.RData") cat("\n\n")