Mercurial > repos > lecorguille > xcms_group
annotate README.rst @ 13:13558e8a4778 draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 4897a06ef248e2e74e57a496dd68adbda3c828f1
author | lecorguille |
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date | Wed, 29 Nov 2017 09:46:03 -0500 |
parents | c81275aee959 |
children | 833d2c821d9c |
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3 | 1 |
2 Changelog/News | |
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4 | |
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13558e8a4778
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 4897a06ef248e2e74e57a496dd68adbda3c828f1
lecorguille
parents:
10
diff
changeset
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5 **Version 2.1.1 - 29/11/2017** |
13558e8a4778
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 4897a06ef248e2e74e57a496dd68adbda3c828f1
lecorguille
parents:
10
diff
changeset
|
6 |
13558e8a4778
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 4897a06ef248e2e74e57a496dd68adbda3c828f1
lecorguille
parents:
10
diff
changeset
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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 |
13558e8a4778
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 4897a06ef248e2e74e57a496dd68adbda3c828f1
lecorguille
parents:
10
diff
changeset
|
8 |
10
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
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9 **Version 2.1.0 - 07/02/2017** |
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
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10 |
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
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11 - IMPROVEMENT: Add an option to export the peak list at this step without have to wait camara.annotate |
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
|
12 |
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
|
13 - IMPROVEMENT: xcms.group can deal with merged individual data from "xcms.xcmsSet Merger" |
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
|
14 |
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
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15 - 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 |
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
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16 |
8
5d80e7511dfb
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ec6f0c17bb277ea34f898d96d12d3357220f73d4
lecorguille
parents:
4
diff
changeset
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17 **Version 2.0.6 - 06/07/2016** |
5d80e7511dfb
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ec6f0c17bb277ea34f898d96d12d3357220f73d4
lecorguille
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diff
changeset
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18 |
5d80e7511dfb
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ec6f0c17bb277ea34f898d96d12d3357220f73d4
lecorguille
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4
diff
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19 - UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0 |
5d80e7511dfb
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ec6f0c17bb277ea34f898d96d12d3357220f73d4
lecorguille
parents:
4
diff
changeset
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20 |
5d80e7511dfb
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ec6f0c17bb277ea34f898d96d12d3357220f73d4
lecorguille
parents:
4
diff
changeset
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21 **Version 2.0.5 04/04/2016** |
4
2db1d1d0f131
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 83b80dcd96b379518c2e4ace992affc889d32ca6
lecorguille
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22 |
10
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
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23 - TEST: refactoring to pass planemo test using conda dependencies |
4
2db1d1d0f131
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 83b80dcd96b379518c2e4ace992affc889d32ca6
lecorguille
parents:
3
diff
changeset
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24 |
2db1d1d0f131
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 83b80dcd96b379518c2e4ace992affc889d32ca6
lecorguille
parents:
3
diff
changeset
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25 |
3 | 26 **Version 2.0.4 - 10/02/2016** |
27 | |
28 - BUGFIX: better management of errors. Datasets remained green although the process failed | |
29 | |
30 - UPDATE: refactoring of internal management of inputs/outputs | |
31 | |
32 - UPDATE: refactoring to feed the new report tool | |
33 | |
34 | |
35 **Version 2.0.2 - 02/06/2015** | |
36 | |
37 - 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. | |
38 | |
39 - IMPROVEMENT: parameter labels have changed to facilitate their reading. |