Mercurial > repos > lecorguille > xcms_xcmsset

annotate README.rst @ 25:dc4d3e2b9968 draft

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planemo upload for repository https://github.com/workflow4metabolomics/xcms commit e1f22c9b6d39de7aabc6bb625f65aa5ba6a91312
author lecorguille
date Thu, 02 Mar 2017 08:20:04 -0500
parents d7971ea3ad1d
children 626d3db664ef
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2 Changelog/News
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3 --------------
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5 **Version 2.1.0 - 03/02/2017**
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602acc32b549 planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 22c4e92909198328fc7439ff47e4546a273eb907
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7 - NEW: The W4M tools will be able now to take as input a single file. It will allow to submit in parallel several files and merge them afterward using "xcms.xcmsSet Merger" before "xcms.group".
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f28041d2180a planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 08e7f269a5c59687a7768be8db5fcb4e4d736093
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9 **Version 2.0.11 - 22/12/2016**
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11 - BUGFIX: propose scanrange for all methods
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13 **Version 2.0.10 - 22/12/2016**
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15 - 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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17 **Version 2.0.9 - 06/07/2016**
68547432079b planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ec6f0c17bb277ea34f898d96d12d3357220f73d4
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68547432079b planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ec6f0c17bb277ea34f898d96d12d3357220f73d4
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19 - UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0
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21 **Version 2.0.8 - 06/04/2016**
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23 - TEST: refactoring to pass planemo test using conda dependencies
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26 **Version 2.0.7 - 10/02/2016**
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28 - BUGFIX: better management of errors. Datasets remained green although the process failed
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30 - BUGFIX/IMPROVEMENT: New checking steps around the imported data in order to raise explicte error message before or after launch XCMS: checking of bad characters in the filenames, checking of the XML integrity and checking of duplicates which can appear in the sample names during the XCMS process because of bad characters
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32 - BUGFIX/IMPROVEMENT: New step to check and delete bad characters in the XML: accented characters in the storage path of the mass spectrometer
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34 - UPDATE: refactoring of internal management of inputs/outputs
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36 - UPDATE: refactoring to feed the new report tool
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39 **Version 2.0.2 - 18/01/2016**
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41 - BUGFIX: Some zip files were tag as "corrupt" by R. We have changed the extraction mode to deal with thoses cases.
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44 **Version 2.0.2 - 09/10/2015**
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46 - BUGFIX: Some users reported a bug in xcms.xcmsSet. The preprocessing stops itself and doesn't import the whole dataset contained in the zip file without warning. But meanwhile, please check your samplemetadata dataset and the number of rows.
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49 **Version 2.0.2 - 02/06/2015**
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51 - NEW: The W4M workflows will now take as input a zip file to ease the transfer and to improve dataset exchange between tools and users. (See How_to_upload). The previous "Library directory name" is still available but we invite user to switch on the new zip system as soon as possible.
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53 - 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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55 - IMPROVEMENT: parameter labels have changed to facilitate their reading.
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