Mercurial > repos > lecorguille > xcms_fillpeaks
diff README.rst @ 13:91c71f3808f3 draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
author | lecorguille |
---|---|
date | Tue, 18 Sep 2018 16:13:36 -0400 |
parents | dcb9041cb9ea |
children | 34fe699200ce |
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--- a/README.rst Wed Nov 29 09:47:20 2017 -0500 +++ b/README.rst Tue Sep 18 16:13:36 2018 -0400 @@ -2,24 +2,37 @@ Changelog/News -------------- +**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 have to wait camara.annotate +- 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