Mercurial > repos > lecorguille > xcms_fillpeaks

annotate README.rst @ 45:1a711c1b8b1f draft

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"planemo upload for repository https://github.com/workflow4metabolomics/xcms commit dcc90f9cf76e6980c0a7d9698c89fab826e7adae"
author workflow4metabolomics
date Wed, 07 Apr 2021 10:28:50 +0000
parents 1b5fb5a27f5e
children
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2 Changelog/News
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3 --------------
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5 .. _News: https://bioconductor.org/packages/release/bioc/news/xcms/NEWS
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7 **Version 3.12.0+galaxy* - 03/03/2020**
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1a711c1b8b1f "planemo upload for repository https://github.com/workflow4metabolomics/xcms commit dcc90f9cf76e6980c0a7d9698c89fab826e7adae"
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9 - UPGRADE: upgrade the xcms version from 3.6.1 to 3.12.0 (see XCMS News_)
1a711c1b8b1f "planemo upload for repository https://github.com/workflow4metabolomics/xcms commit dcc90f9cf76e6980c0a7d9698c89fab826e7adae"
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11 **Version 3.6.1.0 - 03/09/2019**
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13 - UPGRADE: upgrade the xcms version from 3.4.4 to 3.6.1 (see XCMS News_)
1b5fb5a27f5e "planemo upload for repository https://github.com/workflow4metabolomics/xcms commit f1caf2a3bf23cf319a75dd12c86402555dd02617"
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15 **Version 3.4.4.0 - 08/02/2019**
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eeade1310758 planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a5136bfc124956893f4f0c91808d1c0d78c4ea01
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17 - UPGRADE: upgrade the xcms version from 3.0.0 to 3.4.4 (see XCMS News_)
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19 - BUGFIX: issue with Inf values in the exported DataMatrix: https://github.com/sneumann/xcms/issues/323#issuecomment-433044378
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21 **Version 3.0.0.2 - 09/11/2018**
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23 - 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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26 **Version 3.0.0.1 - 09/10/2018**
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28 - IMPROVEMENT: the export of the PeakList is now mandatory
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31 **Version 3.0.0.0 - 08/03/2018**
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33 - 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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35 - 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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37 - UPDATE: since xcms 3.0.0, new parameters are available: expandMz, expandRt and ppm
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40 **Version 2.1.1 - 29/11/2017**
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42 - 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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45 **Version 2.1.0 - 07/02/2017**
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47 - 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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49 - IMPROVEMENT: xcms.fillpeaks can deal with merged individual data
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52 **Version 2.0.8 - 22/12/2016**
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54 - IMPROVEMENT: Add an option to export the peak list at this step without having to wait for CAMERA.annotate
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57 **Version 2.0.7 - 06/07/2016**
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59 - UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0
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62 **Version 2.0.6 - 04/04/2016**
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64 - TEST: refactoring to pass planemo test using conda dependencies
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67 **Version 2.0.5 - 10/02/2016**
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69 - BUGFIX: better management of errors. Datasets remained green although the process failed
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71 - UPDATE: refactoring of internal management of inputs/outputs
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73 - UPDATE: refactoring to feed the new report tool
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76 **Version 2.0.2 - 02/06/2015**
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78 - 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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80 - IMPROVEMENT: parameter labels have changed to facilitate their reading.