Mercurial > repos > lecorguille > xcms_group
annotate README.rst @ 20:63d9c5980c07 draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit d481a27556155e3587901d702d364b71f28e30b9
author | lecorguille |
---|---|
date | Thu, 07 Mar 2019 07:40:20 -0500 |
parents | c8f8d598f562 |
children | 761913919c21 |
rev | line source |
---|---|
3 | 1 |
2 Changelog/News | |
3 -------------- | |
4 | |
20
63d9c5980c07
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit d481a27556155e3587901d702d364b71f28e30b9
lecorguille
parents:
19
diff
changeset
|
5 .. _News: https://bioconductor.org/packages/release/bioc/news/xcms/NEWS |
19
c8f8d598f562
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit f0d42bca2f34c58c04b55e5990058d479c0ae639
lecorguille
parents:
18
diff
changeset
|
6 |
20
63d9c5980c07
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit d481a27556155e3587901d702d364b71f28e30b9
lecorguille
parents:
19
diff
changeset
|
7 **Version 3.4.4.0 - 08/02/2019** |
63d9c5980c07
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit d481a27556155e3587901d702d364b71f28e30b9
lecorguille
parents:
19
diff
changeset
|
8 |
63d9c5980c07
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit d481a27556155e3587901d702d364b71f28e30b9
lecorguille
parents:
19
diff
changeset
|
9 - UPGRADE: upgrade the xcms version from 3.0.0 to 3.4.4 (see XCMS News_) |
19
c8f8d598f562
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit f0d42bca2f34c58c04b55e5990058d479c0ae639
lecorguille
parents:
18
diff
changeset
|
10 |
c8f8d598f562
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit f0d42bca2f34c58c04b55e5990058d479c0ae639
lecorguille
parents:
18
diff
changeset
|
11 - BUGFIX: issue with Inf values in the exported DataMatrix: https://github.com/sneumann/xcms/issues/323#issuecomment-433044378 |
c8f8d598f562
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit f0d42bca2f34c58c04b55e5990058d479c0ae639
lecorguille
parents:
18
diff
changeset
|
12 |
18
7a19925478e8
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 37b0a6a7686f701e4bf00db97ae2c1b82cd6e989
lecorguille
parents:
14
diff
changeset
|
13 **Version 3.0.0.1 - 09/11/2018** |
7a19925478e8
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 37b0a6a7686f701e4bf00db97ae2c1b82cd6e989
lecorguille
parents:
14
diff
changeset
|
14 |
7a19925478e8
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 37b0a6a7686f701e4bf00db97ae2c1b82cd6e989
lecorguille
parents:
14
diff
changeset
|
15 - 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
lecorguille
parents:
14
diff
changeset
|
16 |
14
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
17 **Version 3.0.0.0 - 08/03/2018** |
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
18 |
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
19 - 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. |
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
20 |
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
21 - NEW: a bunch of new options: PeakDensity.minSamples), MzClust.minSamples) |
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
22 |
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
23 - NEW: a new density plot |
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
24 |
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
25 - IMPROVEMENT: the advanced options are now in sections. It will allow you to access to all the parameters and to know their default values. |
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
26 |
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
27 |
13
13558e8a4778
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 4897a06ef248e2e74e57a496dd68adbda3c828f1
lecorguille
parents:
10
diff
changeset
|
28 **Version 2.1.1 - 29/11/2017** |
13558e8a4778
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 4897a06ef248e2e74e57a496dd68adbda3c828f1
lecorguille
parents:
10
diff
changeset
|
29 |
13558e8a4778
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 4897a06ef248e2e74e57a496dd68adbda3c828f1
lecorguille
parents:
10
diff
changeset
|
30 - 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
|
31 |
14
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
32 |
10
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
|
33 **Version 2.1.0 - 07/02/2017** |
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
|
34 |
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
|
35 - 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
|
36 |
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
|
37 - 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
|
38 |
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
|
39 - 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
|
40 |
14
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
41 |
8
5d80e7511dfb
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ec6f0c17bb277ea34f898d96d12d3357220f73d4
lecorguille
parents:
4
diff
changeset
|
42 **Version 2.0.6 - 06/07/2016** |
5d80e7511dfb
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ec6f0c17bb277ea34f898d96d12d3357220f73d4
lecorguille
parents:
4
diff
changeset
|
43 |
5d80e7511dfb
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ec6f0c17bb277ea34f898d96d12d3357220f73d4
lecorguille
parents:
4
diff
changeset
|
44 - 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
|
45 |
14
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
46 |
833d2c821d9c
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
lecorguille
parents:
13
diff
changeset
|
47 **Version 2.0.5 - 04/04/2016** |
4
2db1d1d0f131
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 83b80dcd96b379518c2e4ace992affc889d32ca6
lecorguille
parents:
3
diff
changeset
|
48 |
10
c81275aee959
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
lecorguille
parents:
8
diff
changeset
|
49 - 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
|
50 |
2db1d1d0f131
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 83b80dcd96b379518c2e4ace992affc889d32ca6
lecorguille
parents:
3
diff
changeset
|
51 |
3 | 52 **Version 2.0.4 - 10/02/2016** |
53 | |
54 - BUGFIX: better management of errors. Datasets remained green although the process failed | |
55 | |
56 - UPDATE: refactoring of internal management of inputs/outputs | |
57 | |
58 - UPDATE: refactoring to feed the new report tool | |
59 | |
60 | |
61 **Version 2.0.2 - 02/06/2015** | |
62 | |
63 - 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. | |
64 | |
65 - IMPROVEMENT: parameter labels have changed to facilitate their reading. |