Mercurial > repos > lecorguille > xcms_retcor
changeset 44:db348cb32618 draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 60ad498b7bd01542a69d6603160d36494c97077a
| author | lecorguille |
|---|---|
| date | Tue, 30 Apr 2019 05:19:53 -0400 |
| parents | 221a8c6de94a |
| children | 1986c48d86ce |
| files | README.rst abims_xcms_retcor.xml xcms_retcor.r |
| diffstat | 3 files changed, 12 insertions(+), 4 deletions(-) [+] |
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--- 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_)
--- 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 @@ -<tool id="abims_xcms_retcor" name="xcms adjustRtime (retcor)" version="@WRAPPER_VERSION@.0"> +<tool id="abims_xcms_retcor" name="xcms adjustRtime (retcor)" version="@WRAPPER_VERSION@.1"> <description>Retention Time Correction</description> @@ -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_)
--- 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")