Mercurial > repos > computational-metabolomics > mspurity_averagefragspectra
comparison README.rst @ 9:ac284b969836 draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 20a48a1862267264f98b7c514287f9a5cba1143f
author | computational-metabolomics |
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date | Thu, 13 Jun 2024 11:35:57 +0000 |
parents | e98ae5c1f4e7 |
children | 9f92f8af2c9a |
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1 msPurity for Galaxy | 1 msPurity for Galaxy |
2 ======================== | 2 ======================== |
3 |Git| |Bioconda| |License| | 3 |Git| |Bioconda| |License| |
4 | 4 |
5 | 5 |
6 Version v1.16.2+galaxy2 | 6 Version v1.28.0+galaxy0 |
7 ------------------------ | 7 ------------------------ |
8 | 8 |
9 - msPurity | 9 - msPurity |
10 - bioconductor-mspurity v1.16.2 | 10 - bioconductor-mspurity v1.28.0 |
11 - Galaxy tools | 11 - Galaxy tools |
12 - v2 | 12 - v0 |
13 | 13 |
14 About | 14 About |
15 ------ | 15 ------ |
16 Galaxy tools for the Bioconductor R package msPurity. Tools available for assessing precursor ion purity of | 16 Galaxy tools for the Bioconductor R package msPurity. Tools available for assessing precursor ion purity of |
17 LC-MS/MS or DI-M/MS data that has been acquired. And tools are available to assess LC-MS or DI-MS for | 17 LC-MS/MS or DI-M/MS data that has been acquired. And tools are available to assess LC-MS or DI-MS for |
24 Use the following links for more details of the msPurity R package: | 24 Use the following links for more details of the msPurity R package: |
25 | 25 |
26 * Bioconductor: http://bioconductor.org/packages/msPurity/ | 26 * Bioconductor: http://bioconductor.org/packages/msPurity/ |
27 * Vignette: https://bioconductor.org/packages/devel/bioc/vignettes/msPurity/inst/doc/msPurity-vignette.html | 27 * Vignette: https://bioconductor.org/packages/devel/bioc/vignettes/msPurity/inst/doc/msPurity-vignette.html |
28 * Manual: http://bioconductor.org/packages/devel/bioc/manuals/msPurity/man/msPurity.pdf | 28 * Manual: http://bioconductor.org/packages/devel/bioc/manuals/msPurity/man/msPurity.pdf |
29 * Bioconductor mirror code: https://github.com/Bioconductor-mirror/msPurity | |
30 * Github code: https://github.com/computational-metabolomics/mspurity | 29 * Github code: https://github.com/computational-metabolomics/mspurity |
31 * Bioconda (stable): https://anaconda.org/bioconda/bioconductor-mspurity | 30 * Bioconda (stable): https://anaconda.org/bioconda/bioconductor-mspurity |
32 * Conda (dev and testing): https://anaconda.org/tomnl/bioconductor-mspurity | |
33 | 31 |
34 | 32 |
35 Dependencies | 33 Dependencies |
36 ------------------ | 34 ------------------ |
37 Dependencies for these Galaxy tools should be handled by CONDA. | 35 Dependencies for these Galaxy tools should be handled by CONDA. |
52 - Simon Bray (sbray@informatik.uni-freiburg.de) - `University of Freiburg (Germany) <https://www.uni-freiburg.de/>`_ | 50 - Simon Bray (sbray@informatik.uni-freiburg.de) - `University of Freiburg (Germany) <https://www.uni-freiburg.de/>`_ |
53 | 51 |
54 | 52 |
55 Changes | 53 Changes |
56 ------------------------- | 54 ------------------------- |
55 v1.28.0-galaxy0 | |
56 - Version bump to v1.28.0 | |
57 - createMSP now uses the median precursor MZ and precursor RT in the MSP files | |
58 - flagRemove updated to handle different xcms version objects internally within msPurity R function | |
59 - Relevant unit tests updated and further tidying up of repo | |
60 | |
57 v1.16.2-galaxy2 | 61 v1.16.2-galaxy2 |
58 - Fix for purityX galaxy tool (https://github.com/computational-metabolomics/mspurity-galaxy/issues/53) | 62 - Fix for purityX galaxy tool (https://github.com/computational-metabolomics/mspurity-galaxy/issues/53) |
59 - Cleanup of xml based on updated lint requirements | 63 - Cleanup of xml based on updated lint requirements |
60 - Fix combineAnnotation tests | 64 - Fix combineAnnotation tests |
61 - Cleanup of repository folders | 65 - Cleanup of repository folders |