Mercurial > repos > lecorguille > xcms_plot_chromatogram
diff xcms_plot_chromatogram.r @ 13:9a5b4a1b9880 draft
"planemo upload for repository https://github.com/workflow4metabolomics/xcms commit f1caf2a3bf23cf319a75dd12c86402555dd02617"
author | workflow4metabolomics |
---|---|
date | Wed, 12 Feb 2020 13:26:21 +0000 |
parents | 5f0327d6f474 |
children | bf87ce10267e |
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--- a/xcms_plot_chromatogram.r Mon Apr 29 06:09:00 2019 -0400 +++ b/xcms_plot_chromatogram.r Wed Feb 12 13:26:21 2020 +0000 @@ -48,8 +48,9 @@ cat("\t\tDRAW GRAPHICS\n") -if (!is.null(chromTIC) || is.null(chromTIC)) { cat("\t\t\tCompute TIC\n"); chromTIC <- chromatogram(xdata, aggregationFun = "sum") } -if (!is.null(chromBPI) || is.null(chromBPI)) { cat("\t\t\tCompute BPI\n"); chromBPI <- chromatogram(xdata, aggregationFun = "max") } +register(SerialParam()) +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") } if (!is.null(chromTIC_adjusted)) chromTIC <- chromTIC_adjusted if (!is.null(chromBPI_adjusted)) chromBPI <- chromBPI_adjusted @@ -65,11 +66,12 @@ print(xdata) cat("\n\n") -cat("\txcmsSet OBJECT INFO\n") +# 2020-01-17 - disable because xcms 3.4.4 raises an error with xdata build with xcms 3.6.1 +#cat("\txcmsSet OBJECT INFO\n") # Get the legacy xcmsSet object -xset <- getxcmsSetObject(xdata) -print(xset) -cat("\n\n") +#xset <- getxcmsSetObject(xdata) +#print(xset) +#cat("\n\n") cat("\tDONE\n")