Mercurial > repos > lecorguille > xcms_retcor
diff xcms_retcor.r @ 36:e309e6af6744 draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 3922356e5edae763800a4311146e2fdeb52c296e
| author | lecorguille |
|---|---|
| date | Fri, 31 Aug 2018 09:02:01 -0400 |
| parents | 2b0a4c7a4a48 |
| children | 67ee46ce9781 |
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--- a/xcms_retcor.r Thu Apr 05 18:09:18 2018 -0400 +++ b/xcms_retcor.r Fri Aug 31 09:02:01 2018 -0400 @@ -49,11 +49,6 @@ 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") @@ -71,6 +66,10 @@ print(adjustRtimeParam) xdata <- adjustRtime(xdata, param=adjustRtimeParam) +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")