Mercurial > repos > lecorguille > xcms_fillpeaks

annotate README.rst @ 16:34fe699200ce draft

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planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 878be1bfbe93af0a140df76fa47f0a82a48189e3
author lecorguille
date Tue, 09 Oct 2018 04:42:22 -0400
parents 91c71f3808f3
children b6b62413936f
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2 Changelog/News
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3 --------------
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5 **Version 3.0.0.1 - 09/10/2018**
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7 - IMPROVEMENT: the export of the PeakList is now mandatory
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10 **Version 3.0.0.0 - 08/03/2018**
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12 - 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.
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14 - 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
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16 - UPDATE: since xcms 3.0.0, new parameters are available: expandMz, expandRt and ppm
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19 **Version 2.1.1 - 29/11/2017**
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21 - BUGFIX: To avoid issues with accented letter in the parentFile tag of the mzXML files, we changed a hidden mechanim to LC_ALL=C
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24 **Version 2.1.0 - 07/02/2017**
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26 - 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)
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28 - IMPROVEMENT: xcms.fillpeaks can deal with merged individual data
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31 **Version 2.0.8 - 22/12/2016**
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33 - IMPROVEMENT: Add an option to export the peak list at this step without having to wait for CAMERA.annotate
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36 **Version 2.0.7 - 06/07/2016**
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38 - UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0
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41 **Version 2.0.6 - 04/04/2016**
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43 - TEST: refactoring to pass planemo test using conda dependencies
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46 **Version 2.0.5 - 10/02/2016**
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48 - BUGFIX: better management of errors. Datasets remained green although the process failed
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50 - UPDATE: refactoring of internal management of inputs/outputs
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52 - UPDATE: refactoring to feed the new report tool
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55 **Version 2.0.2 - 02/06/2015**
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57 - 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.
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59 - IMPROVEMENT: parameter labels have changed to facilitate their reading.