Mercurial > repos > lecorguille > xcms_fillpeaks

annotate README.rst @ 17:b6b62413936f draft

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planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 37b0a6a7686f701e4bf00db97ae2c1b82cd6e989
author lecorguille
date Fri, 09 Nov 2018 15:18:21 -0500
parents 34fe699200ce
children 27fbe73c4279
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2 Changelog/News
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3 --------------
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b6b62413936f planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 37b0a6a7686f701e4bf00db97ae2c1b82cd6e989
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5 **Version 3.0.0.2 - 09/11/2018**
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7 - BUGFIX: issue when the vector at peakidx is too long and is written in a new line during the export of the peaklist
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b6b62413936f planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 37b0a6a7686f701e4bf00db97ae2c1b82cd6e989
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10 **Version 3.0.0.1 - 09/10/2018**
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12 - IMPROVEMENT: the export of the PeakList is now mandatory
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15 **Version 3.0.0.0 - 08/03/2018**
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17 - 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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19 - 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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21 - UPDATE: since xcms 3.0.0, new parameters are available: expandMz, expandRt and ppm
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24 **Version 2.1.1 - 29/11/2017**
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26 - 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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29 **Version 2.1.0 - 07/02/2017**
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31 - 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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33 - IMPROVEMENT: xcms.fillpeaks can deal with merged individual data
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36 **Version 2.0.8 - 22/12/2016**
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38 - IMPROVEMENT: Add an option to export the peak list at this step without having to wait for CAMERA.annotate
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41 **Version 2.0.7 - 06/07/2016**
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43 - UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0
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46 **Version 2.0.6 - 04/04/2016**
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48 - TEST: refactoring to pass planemo test using conda dependencies
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51 **Version 2.0.5 - 10/02/2016**
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53 - BUGFIX: better management of errors. Datasets remained green although the process failed
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55 - UPDATE: refactoring of internal management of inputs/outputs
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57 - UPDATE: refactoring to feed the new report tool
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60 **Version 2.0.2 - 02/06/2015**
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62 - 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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64 - IMPROVEMENT: parameter labels have changed to facilitate their reading.