Mercurial > repos > lecorguille > xcms_fillpeaks
view README.rst @ 16:34fe699200ce draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 878be1bfbe93af0a140df76fa47f0a82a48189e3
author | lecorguille |
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date | Tue, 09 Oct 2018 04:42:22 -0400 |
parents | 91c71f3808f3 |
children | b6b62413936f |
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Changelog/News -------------- **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.