Mercurial > repos > lecorguille > xcms_xcmsset
changeset 45:6f9224f32a34 draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 60ad498b7bd01542a69d6603160d36494c97077a
| author | lecorguille |
|---|---|
| date | Tue, 30 Apr 2019 05:13:39 -0400 |
| parents | ceff49826bf2 |
| children | bea0471f41b9 |
| files | README.rst abims_xcms_xcmsSet.xml xcms_xcmsSet.r |
| diffstat | 3 files changed, 12 insertions(+), 4 deletions(-) [+] |
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--- a/README.rst Mon Apr 29 06:08:03 2019 -0400 +++ b/README.rst Tue Apr 30 05:13:39 2019 -0400 @@ -24,6 +24,10 @@ .. _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_xcmsSet.xml Mon Apr 29 06:08:03 2019 -0400 +++ b/abims_xcms_xcmsSet.xml Tue Apr 30 05:13:39 2019 -0400 @@ -1,4 +1,4 @@ -<tool id="abims_xcms_xcmsSet" name="xcms findChromPeaks (xcmsSet)" version="@WRAPPER_VERSION@.0"> +<tool id="abims_xcms_xcmsSet" name="xcms findChromPeaks (xcmsSet)" version="@WRAPPER_VERSION@.1"> <description>Chromatographic peak detection</description> <macros> @@ -484,6 +484,10 @@ .. _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_xcmsSet.r Mon Apr 29 06:08:03 2019 -0400 +++ b/xcms_xcmsSet.r Tue Apr 30 05:13:39 2019 -0400 @@ -105,9 +105,9 @@ # Create a sampleMetada file sampleNamesList <- getSampleMetadata(xdata=xdata, sampleMetadataOutput="sampleMetadata.tsv") -cat("\t\t\tCompute and Store TIC and BPI\n") -chromTIC = chromatogram(xdata, aggregationFun = "sum") -chromBPI = chromatogram(xdata, aggregationFun = "max") +#cat("\t\t\tCompute and Store TIC and BPI\n") +#chromTIC = chromatogram(xdata, aggregationFun = "sum") +#chromBPI = chromatogram(xdata, aggregationFun = "max") cat("\n\n")