Mercurial > repos > computational-metabolomics > mspurity_createdatabase

comparison README.rst @ 9:751b7378a683 draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 20a48a1862267264f98b7c514287f9a5cba1143f
author computational-metabolomics
date Thu, 13 Jun 2024 11:39:21 +0000
parents efd14b326007
children f5043704dd62
comparison
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8:efd14b326007 9:751b7378a683
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