Mercurial > repos > lecorguille > xcms_fillpeaks

annotate README.rst @ 33:ea611367e1da draft

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planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 49203f8a5271fa5e6bb889e907df71ebf7757309
author lecorguille
date Thu, 08 Mar 2018 05:55:04 -0500
parents 6b5ed508f81f
children dbe526f13ff3
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2 Changelog/News
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3 --------------
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ea611367e1da planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 49203f8a5271fa5e6bb889e907df71ebf7757309
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5 **Version 3.0.0.0 - 08/03/2018**
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7 - 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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9 - 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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11 - UPDATE: since xcms 3.0.0, new parameters are available: expandMz, expandRt and ppm
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14 **Version 2.1.1 - 29/11/2017**
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16 - 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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19 **Version 2.1.0 - 07/02/2017**
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21 - 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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23 - IMPROVEMENT: xcms.fillpeaks can deal with merged individual data
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26 **Version 2.0.8 - 22/12/2016**
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28 - IMPROVEMENT: Add an option to export the peak list at this step without having to wait for CAMERA.annotate
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31 **Version 2.0.7 - 06/07/2016**
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33 - UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0
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36 **Version 2.0.6 - 04/04/2016**
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38 - TEST: refactoring to pass planemo test using conda dependencies
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41 **Version 2.0.5 - 10/02/2016**
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43 - BUGFIX: better management of errors. Datasets remained green although the process failed
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45 - UPDATE: refactoring of internal management of inputs/outputs
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47 - UPDATE: refactoring to feed the new report tool
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50 **Version 2.0.2 - 02/06/2015**
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52 - 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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54 - IMPROVEMENT: parameter labels have changed to facilitate their reading.