Mercurial > repos > lecorguille > xcms_group

annotate README.rst @ 18:7a19925478e8 draft

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planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 37b0a6a7686f701e4bf00db97ae2c1b82cd6e989
author lecorguille
date Fri, 09 Nov 2018 15:14:35 -0500
parents 833d2c821d9c
children c8f8d598f562
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2 Changelog/News
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3 --------------
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7a19925478e8 planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 37b0a6a7686f701e4bf00db97ae2c1b82cd6e989
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5 **Version 3.0.0.1 - 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
7a19925478e8 planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 37b0a6a7686f701e4bf00db97ae2c1b82cd6e989
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9 **Version 3.0.0.0 - 08/03/2018**
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833d2c821d9c planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
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11 - 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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13 - NEW: a bunch of new options: PeakDensity.minSamples), MzClust.minSamples)
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15 - NEW: a new density plot
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17 - 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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20 **Version 2.1.1 - 29/11/2017**
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22 - 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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25 **Version 2.1.0 - 07/02/2017**
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27 - IMPROVEMENT: Add an option to export the peak list at this step without have to wait camara.annotate
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29 - IMPROVEMENT: xcms.group can deal with merged individual data from "xcms.xcmsSet Merger"
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31 - 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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34 **Version 2.0.6 - 06/07/2016**
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36 - UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0
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39 **Version 2.0.5 - 04/04/2016**
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41 - TEST: refactoring to pass planemo test using conda dependencies
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44 **Version 2.0.4 - 10/02/2016**
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46 - BUGFIX: better management of errors. Datasets remained green although the process failed
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48 - UPDATE: refactoring of internal management of inputs/outputs
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50 - UPDATE: refactoring to feed the new report tool
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53 **Version 2.0.2 - 02/06/2015**
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55 - 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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57 - IMPROVEMENT: parameter labels have changed to facilitate their reading.