Mercurial > repos > computational-metabolomics > mspurity_puritya

comparison README.rst @ 6:aca2eb389ccd draft

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"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2579c8746819670348c378f86116f83703c493eb"
author computational-metabolomics
date Thu, 04 Mar 2021 12:26:24 +0000
parents 0d73912c7cdc
children 55f1691db108
comparison
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5:0d73912c7cdc 6:aca2eb389ccd
1 msPurity for Galaxy 1 msPurity for Galaxy
2 ======================== 2 ========================
3 |Build Status (Travis)| |Git| |Bioconda| |License| 3 |Build Status (Travis)| |Git| |Bioconda| |License|
4 4
5 5
6 Version v1.12.2+galaxy2 6 Version v1.16.2+galaxy0
7 ------ 7 ------------------------
8 8
9 - msPurity 9 - msPurity
10 - bioconductor-mspurity v1.12.2 10 - bioconductor-mspurity v1.16.2
11 - Galaxy tools 11 - Galaxy tools
12 - v3 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
33 33
34 34
35 35
36 36
37 Dependencies 37 Dependencies
38 ------ 38 ------------------
39 Dependencies for these Galaxy tools should be handled by CONDA. The most recent version of the msPurity R package can found on channel `tomnl <https://anaconda.org/tomnl/bioconductor-mspurity>`_ on `anaconda <https://anaconda.org/tomnl/bioconductor-mspurity>`_. Warning this will be a different version of the package compared to the BICONDA bioconductor-mspurity. 39 Dependencies for these Galaxy tools should be handled by CONDA.
40 40
41 41
42 Galaxy 42 Galaxy
43 ------ 43 ------------------
44 `Galaxy <https://galaxyproject.org>`_ is an open, web-based platform for data intensive biomedical research. Whether on the free public server or your own instance, you can perform, reproduce, and share complete analyses. 44 `Galaxy <https://galaxyproject.org>`_ is an open, web-based platform for data intensive biomedical research. Whether on the free public server or your own instance, you can perform, reproduce, and share complete analyses.
45 45
46 46
47 Authors, contributors & contacts 47 Authors, contributors & contacts
48 ------------------------- 48 -------------------------------------
49 49
50 - Thomas N. Lawson (t.n.lawson@bham.ac.uk) - `University of Birmingham (UK) <http://www.birmingham.ac.uk/index.aspx>`_ 50 - Thomas N. Lawson (t.n.lawson@bham.ac.uk) - `University of Birmingham (UK) <http://www.birmingham.ac.uk/index.aspx>`_
51 - Ralf J. M. Weber (r.j.weber@bham.ac.uk) - `University of Birmingham (UK) <http://www.birmingham.ac.uk/index.aspx>`_ 51 - Ralf J. M. Weber (r.j.weber@bham.ac.uk) - `University of Birmingham (UK) <http://www.birmingham.ac.uk/index.aspx>`_
52 - Jordi Capellades (j.capellades.to@gmail.com) - `Universitat Rovira i Virgili (SP) <http://www.urv.cat/en/>`_ 52 - Jordi Capellades (j.capellades.to@gmail.com) - `Universitat Rovira i Virgili (SP) <http://www.urv.cat/en/>`_
53 - Julien Saint-Vanne (jsaintvanne) - `ABiMS (France) <http://abims.sb-roscoff.fr/>`_ 53 - Julien Saint-Vanne (jsaintvanne) - `ABiMS (France) <http://abims.sb-roscoff.fr/>`_
54 - Simon Bray (sbray@informatik.uni-freiburg.de) - `University of Freiburg (Germany) <https://www.uni-freiburg.de/>`_ 54 - Simon Bray (sbray@informatik.uni-freiburg.de) - `University of Freiburg (Germany) <https://www.uni-freiburg.de/>`_
55 55
56 Changes 56 Changes
57 ------------------------- 57 -------------------------
58 v1.16.2-galaxy0
59 - Version bump
60 - Fix for intra spectral matching
61 - Fix for typo https://github.com/computational-metabolomics/mspurity-galaxy/pull/43
62 - Lint fixes
63
64 v1.12.2-galaxy3
65 - Bug fix reference to offsets in conditional #41
66
58 v1.12.2-galaxy2 67 v1.12.2-galaxy2
59 - Bug fix for using custom library sqlite database from Galaxy UI 68 - Bug fix for using custom library sqlite database from Galaxy UI
60 - Bug fix for "allfrag" for createDatabase 69 - Bug fix for "allfrag" for createDatabase
61 70
62 71
68 77
69 v1.12.2-galaxy0 78 v1.12.2-galaxy0
70 - Update to version v1.12.2 of `msPurity <https://github.com/computational-metabolomics/msPurity/pull/71>`_ 79 - Update to version v1.12.2 of `msPurity <https://github.com/computational-metabolomics/msPurity/pull/71>`_
71 - Optional summary output for combineAnnotations (for very large output) 80 - Optional summary output for combineAnnotations (for very large output)
72 - Extra column added to flagRemove output 81 - Extra column added to flagRemove output
73 - Hide probmetab input 82 - Hide probmetab input
74 - Make dimsPredictPuritySingle more compatible with "simple workflow inputs" 83 - Make dimsPredictPuritySingle more compatible with "simple workflow inputs"
75 84
76 85
77 v1.12.1-galaxy0 86 v1.12.1-galaxy0
78 - Update to version v1.12.1 of `msPurity <https://github.com/computational-metabolomics/msPurity/pull/71>`_ 87 - Update to version v1.12.1 of `msPurity <https://github.com/computational-metabolomics/msPurity/pull/71>`_
81 - Bug fix (offsets were not being automatically selected for purityA) thanks jsaintvanne 90 - Bug fix (offsets were not being automatically selected for purityA) thanks jsaintvanne
82 - Exit script without error for flagRemove 91 - Exit script without error for flagRemove
83 - Username updated in Toolshed yaml 92 - Username updated in Toolshed yaml
84 93
85 v1.12.0-galaxy0 94 v1.12.0-galaxy0
86 - Updates for Bioconductor stable msPurity v1.12.0 release 95 - Updates for Bioconductor stable msPurity v1.12.0 release
87 - Additional columns added for spectral matching (for msnpy use case) 96 - Additional columns added for spectral matching (for msnpy use case)
88 - Merge of v1.11.4-galaxy1 97 - Merge of v1.11.4-galaxy1
89 98
90 v1.11.4-galaxy1 99 v1.11.4-galaxy1
91 - Not submitted to toolshed 100 - Not submitted to toolshed