Mercurial > repos > lecorguille > xcms_fillpeaks
diff README.rst @ 26:bb9ee352fce0 draft default tip
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit 2cb157bd9a8701a3d6874e084032cbd050b8953e
author | workflow4metabolomics |
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date | Mon, 11 Sep 2023 09:15:33 +0000 |
parents | 26d77e9ceb49 |
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--- a/README.rst Wed Apr 07 10:34:07 2021 +0000 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,80 +0,0 @@ - -Changelog/News --------------- - -.. _News: https://bioconductor.org/packages/release/bioc/news/xcms/NEWS - -**Version 3.12.0+galaxy* - 03/03/2020** - -- UPGRADE: upgrade the xcms version from 3.6.1 to 3.12.0 (see XCMS News_) - -**Version 3.6.1.0 - 03/09/2019** - -- UPGRADE: upgrade the xcms version from 3.4.4 to 3.6.1 (see XCMS News_) - -**Version 3.4.4.0 - 08/02/2019** - -- UPGRADE: upgrade the xcms version from 3.0.0 to 3.4.4 (see XCMS News_) - -- BUGFIX: issue with Inf values in the exported DataMatrix: https://github.com/sneumann/xcms/issues/323#issuecomment-433044378 - -**Version 3.0.0.2 - 09/11/2018** - -- BUGFIX: issue when the vector at peakidx is too long and is written in a new line during the export of the peaklist - - -**Version 3.0.0.1 - 09/10/2018** - -- IMPROVEMENT: the export of the PeakList is now mandatory - - -**Version 3.0.0.0 - 08/03/2018** - -- UPGRADE: upgrade the xcms version from 1.46.0 to 3.0.0. So refactoring of a lot of underlying codes and methods. Some parameters may have been renamed. - -- UPDATE: since xcms 3.0.0, the selection of a method is no more needed (chrom or MSW). xcms will detect from the data the peak picking method used in findChromPeaks - -- UPDATE: since xcms 3.0.0, new parameters are available: expandMz, expandRt and ppm - - -**Version 2.1.1 - 29/11/2017** - -- BUGFIX: To avoid issues with accented letter in the parentFile tag of the mzXML files, we changed a hidden mechanim to LC_ALL=C - - -**Version 2.1.0 - 07/02/2017** - -- IMPROVEMENT: change the management of the peaklist ids. The main ids remain the same as xcms generated. The export setiings now only add custom names in the variableMetadata tab (namecustom) - -- IMPROVEMENT: xcms.fillpeaks can deal with merged individual data - - -**Version 2.0.8 - 22/12/2016** - -- IMPROVEMENT: Add an option to export the peak list at this step without having to wait for CAMERA.annotate - - -**Version 2.0.7 - 06/07/2016** - -- UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0 - - -**Version 2.0.6 - 04/04/2016** - -- TEST: refactoring to pass planemo test using conda dependencies - - -**Version 2.0.5 - 10/02/2016** - -- BUGFIX: better management of errors. Datasets remained green although the process failed - -- UPDATE: refactoring of internal management of inputs/outputs - -- UPDATE: refactoring to feed the new report tool - - -**Version 2.0.2 - 02/06/2015** - -- IMPROVEMENT: new datatype/dataset formats (rdata.xcms.raw, rdata.xcms.group, rdata.xcms.retcor ...) will facilitate the sequence of tools and so avoid incompatibility errors. - -- IMPROVEMENT: parameter labels have changed to facilitate their reading.