Mercurial > repos > lecorguille > xcms_group

annotate README.rst @ 17:95e689b7f27f draft

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planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 878be1bfbe93af0a140df76fa47f0a82a48189e3
author lecorguille
date Tue, 09 Oct 2018 04:39:40 -0400
parents 833d2c821d9c
children 7a19925478e8
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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.
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9 - NEW: a bunch of new options: PeakDensity.minSamples), MzClust.minSamples)
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11 - NEW: a new density plot
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13 - IMPROVEMENT: the advanced options are now in sections. It will allow you to access to all the parameters and to know their default values.
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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 - 07/02/2017**
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23 - IMPROVEMENT: Add an option to export the peak list at this step without have to wait camara.annotate
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25 - IMPROVEMENT: xcms.group can deal with merged individual data from "xcms.xcmsSet Merger"
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27 - BUGFIX: the default value of "density" -> "Maximum number of groups to identify in a single m/z slice" which was of 5 have been changed to fix with the XMCS default values to 50
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30 **Version 2.0.6 - 06/07/2016**
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32 - UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0
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35 **Version 2.0.5 - 04/04/2016**
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37 - TEST: refactoring to pass planemo test using conda dependencies
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40 **Version 2.0.4 - 10/02/2016**
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42 - BUGFIX: better management of errors. Datasets remained green although the process failed
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44 - UPDATE: refactoring of internal management of inputs/outputs
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46 - UPDATE: refactoring to feed the new report tool
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49 **Version 2.0.2 - 02/06/2015**
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51 - 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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53 - IMPROVEMENT: parameter labels have changed to facilitate their reading.