Mercurial > repos > computational-metabolomics > mspurity_spectralmatching

comparison README.rst @ 10:fcd8ef711617 draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit f10386dee95f3b1fbc8d1eeec52d450381ba89c5
author computational-metabolomics
date Fri, 13 Sep 2024 12:25:50 +0000
parents c33b92eeb1fb
children
comparison
equal deleted inserted replaced
9:c33b92eeb1fb 10:fcd8ef711617
1 msPurity for Galaxy 1 msPurity for Galaxy
2 ======================== 2 ========================
3 |Git| |Bioconda| |License| 3 |Git| |Bioconda| |License|
4 4
5 5
6 Version v1.28.0+galaxy0 6 Version v1.28.0+galaxy1
7 ------------------------ 7 ------------------------
8 8
9 - msPurity 9 - msPurity
10 - bioconductor-mspurity v1.28.0 10 - bioconductor-mspurity v1.28.0
11 - Galaxy tools 11 - Galaxy tools
12 - v0 12 - v1
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
50 - 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/>`_
51 51
52 52
53 Changes 53 Changes
54 ------------------------- 54 -------------------------
55 v1.28.0-galaxy1
56 - Further fix for purityX galaxy tool (https://github.com/computational-metabolomics/mspurity-galaxy/issues/53)
57 - Fix for purityA file naming (https://github.com/computational-metabolomics/mspurity-galaxy/issues/56)
58
55 v1.28.0-galaxy0 59 v1.28.0-galaxy0
56 - Version bump to v1.28.0 60 - Version bump to v1.28.0
57 - createMSP now uses the median precursor MZ and precursor RT in the MSP files 61 - 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 62 - flagRemove updated to handle different xcms version objects internally within msPurity R function
59 - Relevant unit tests updated and further tidying up of repo 63 - Relevant unit tests updated and further tidying up of repo