Mercurial > repos > lecorguille > xcms_fillpeaks

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planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
author lecorguille
date Tue, 18 Sep 2018 16:13:36 -0400
parents dcb9041cb9ea
children 34fe699200ce
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12:dcb9041cb9ea 13:91c71f3808f3
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2 Changelog/News 2 Changelog/News
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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 - 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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11 - UPDATE: since xcms 3.0.0, new parameters are available: expandMz, expandRt and ppm
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5 **Version 2.1.1 - 29/11/2017** 14 **Version 2.1.1 - 29/11/2017**
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7 - BUGFIX: To avoid issues with accented letter in the parentFile tag of the mzXML files, we changed a hidden mechanim to LC_ALL=C 16 - 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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8 18
9 **Version 2.1.0 - 07/02/2017** 19 **Version 2.1.0 - 07/02/2017**
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11 - 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) 21 - 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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13 - IMPROVEMENT: xcms.fillpeaks can deal with merged individual data 23 - IMPROVEMENT: xcms.fillpeaks can deal with merged individual data
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15 **Version 2.0.8 - 22/12/2016** 26 **Version 2.0.8 - 22/12/2016**
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17 - IMPROVEMENT: Add an option to export the peak list at this step without have to wait camara.annotate 28 - IMPROVEMENT: Add an option to export the peak list at this step without having to wait for CAMERA.annotate
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18 30
19 **Version 2.0.7 - 06/07/2016** 31 **Version 2.0.7 - 06/07/2016**
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21 - UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0 33 - UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0
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22 35
23 **Version 2.0.6 - 04/04/2016** 36 **Version 2.0.6 - 04/04/2016**
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25 - TEST: refactoring to pass planemo test using conda dependencies 38 - TEST: refactoring to pass planemo test using conda dependencies
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