Mercurial > repos > lecorguille > xcms_retcor

annotate README.rst @ 40:931db5e555cc draft

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planemo upload for repository https://github.com/workflow4metabolomics/xcms commit e3956bf3393be5bff67b4d90f1007da00b0ec9b2-dirty
author lecorguille
date Thu, 04 Oct 2018 09:50:03 -0400
parents 69b5a006fca1
children feb216e6aef7
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2 Changelog/News
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3 --------------
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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.
69b5a006fca1 planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 49203f8a5271fa5e6bb889e907df71ebf7757309
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69b5a006fca1 planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 49203f8a5271fa5e6bb889e907df71ebf7757309
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9 - NEW: a bunch of new options: Obiwarp.(centerSample, response, distFun, gapInit, gapExtend, factorDiag, factorGap, localAlignment, initPenalty)
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11 - IMPROVEMENT: the advanced options are now in sections. It will allow you to access to all the parameters and to know their default values.
69b5a006fca1 planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 49203f8a5271fa5e6bb889e907df71ebf7757309
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13 - CHANGE: removing of the TIC and BPC plots. You can new use the dedicated tool "xcms plot chromatogram"
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16 **Version 2.1.1 - 29/11/2017**
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18 - 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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21 **Version 2.1.0 - 03/02/2017**
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23 - IMPROVEMENT: xcms.retcor can deal with merged individual data
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26 **Version 2.0.8 - 22/12/2016**
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28 - BUGFIX: when having only one group (i.e. one folder of raw data) the BPC and TIC pdf files do not contain any graph
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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 - BUGFIX: some pdf remained empty even when the process succeed
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47 - UPDATE: refactoring of internal management of inputs/outputs
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49 - UPDATE: refactoring to feed the new report tool
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52 **Version 2.0.2 - 02/06/2015**
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54 - 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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56 - IMPROVEMENT: parameter labels have changed to facilitate their reading.