# HG changeset patch # User lecorguille # Date 1556615993 14400 # Node ID db348cb326187765d908c959d54e8e5846a37387 # Parent 221a8c6de94a2806de97653a1cfbdeae168bacde planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 60ad498b7bd01542a69d6603160d36494c97077a diff -r 221a8c6de94a -r db348cb32618 README.rst --- a/README.rst Mon Apr 29 06:12:54 2019 -0400 +++ b/README.rst Tue Apr 30 05:19:53 2019 -0400 @@ -4,6 +4,10 @@ .. _News: https://bioconductor.org/packages/release/bioc/news/xcms/NEWS +**Version 3.4.4.1 - 30/04/2019** + +- BUGFIX: remove the pre-compute of the chromatograms which was memory consuming. Now, only xcms plot chromatogram will generate the Chromatograms. + **Version 3.4.4.0 - 08/02/2019** - UPGRADE: upgrade the xcms version from 3.0.0 to 3.4.4 (see XCMS News_) diff -r 221a8c6de94a -r db348cb32618 abims_xcms_retcor.xml --- a/abims_xcms_retcor.xml Mon Apr 29 06:12:54 2019 -0400 +++ b/abims_xcms_retcor.xml Tue Apr 30 05:19:53 2019 -0400 @@ -1,4 +1,4 @@ - + Retention Time Correction @@ -308,6 +308,10 @@ .. _News: https://bioconductor.org/packages/release/bioc/news/xcms/NEWS +**Version 3.4.4.1 - 30/04/2019** + +- BUGFIX: remove the pre-compute of the chromatograms which was memory consuming. Now, only xcms plot chromatogram will generate the Chromatograms. + **Version 3.4.4.0 - 08/02/2019** - UPGRADE: upgrade the xcms version from 3.0.0 to 3.4.4 (see XCMS News_) diff -r 221a8c6de94a -r db348cb32618 xcms_retcor.r --- a/xcms_retcor.r Mon Apr 29 06:12:54 2019 -0400 +++ b/xcms_retcor.r Tue Apr 30 05:19:53 2019 -0400 @@ -66,9 +66,9 @@ 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("\t\t\tCompute and Store TIC and BPI\n") +#chromTIC_adjusted = chromatogram(xdata, aggregationFun = "sum") +#chromBPI_adjusted = chromatogram(xdata, aggregationFun = "max") cat("\n\n")