Mercurial > repos > lecorguille > xcms_plot_chromatogram
diff xcms_plot_chromatogram.r @ 3:60b156e58529 draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 5e066c50d2e4ac6d5796b53331cbd3198ab8c4f9-dirty
| author | lecorguille |
|---|---|
| date | Thu, 05 Apr 2018 18:06:32 -0400 |
| parents | e6fdadaf039e |
| children | 954499828c1d |
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--- a/xcms_plot_chromatogram.r Tue Apr 03 11:37:40 2018 -0400 +++ b/xcms_plot_chromatogram.r Thu Apr 05 18:06:32 2018 -0400 @@ -39,6 +39,8 @@ singlefile <- mergeXDataReturn$singlefile md5sumList <- mergeXDataReturn$md5sumList sampleNamesList <- mergeXDataReturn$sampleNamesList +chromTIC <- mergeXDataReturn$chromTIC +chromBPI <- mergeXDataReturn$chromBPI cat("\n\n") @@ -49,8 +51,11 @@ cat("\t\tDRAW GRAPHICS\n") -getPlotTICs(xdata, pdfname="TICs.pdf") -getPlotBPIs(xdata, pdfname="BPIs.pdf") +if (!exists("chromTIC") || is.null(chromTIC)) { cat("\t\t\tCompute TIC\n"); chromTIC <- chromatogram(xdata, aggregationFun = "sum") } +if (!exists("chromBPI") || is.null(chromBPI)) { cat("\t\t\tCompute BPI\n"); chromBPI <- chromatogram(xdata, aggregationFun = "max") } + +getPlotChromatogram(chromTIC, xdata, pdfname="TICs.pdf", aggregationFun = "sum") +getPlotChromatogram(chromBPI, xdata, pdfname="BPIs.pdf", aggregationFun = "max") cat("\n\n")