Mercurial > repos > workflow4metabolomics > ms2snoop

annotate README.md @ 2:a35fde23940e draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload commit 7bb8dbe0a0bb34d897daf11c5dd3a92e89c23944
author workflow4metabolomics
date Wed, 08 Jun 2022 12:37:53 +0000
parents df2672c37732
children c68c94865667
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
0
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
1 # MS2snoop
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
2
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
3
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
4 Metadata
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
5 -----------
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
6
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
7 * **@name**: MS2 Snoop
1
df2672c37732 planemo upload commit 42359ca78388ce5221bc88905a78c996c758aa43
workflow4metabolomics
parents: 0
diff changeset
8 * **@version**: 1.0.1
0
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
9 * **@authors**: Jean François Martin (INRAE)
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
10 * **@maintainers**: Lain Pavot (PFEM - INRAE - MetaboHUB)
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
11 * **@init date**: 2022, April
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
12 * **@main usage**:
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
13 Extraction des spectres MS1 et adduits associées + Extraction+nettoyage
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
14 automatisé des spectres MS2
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
15 Extraction des métadonnées des fichiers RAW
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
16 Export en fichier idéalement en JSON
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
17
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
18
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
19 test
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
20 -----------
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
21
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
22 Run the test script `./planemo_test.sh`
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
23 This will install planemo in a venv and run tests against test data.
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
24
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
25
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
26 Configuration
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
27 -----------
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
28
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
29 ### Requirement:
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
30 * R software: version >= 4.0.0 recommended
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
31 * r-optparse
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
32
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
33
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
34 Services provided
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
35 -----------
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
36
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
37 * Help and support: support@workflow4metabolomics.org
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
38
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
39
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
40 License
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
41 -----------
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
42
91a3242fd67f "planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
workflow4metabolomics
parents:
diff changeset
43 * Cea Cnrs Inria Logiciel Libre License, version 2.1 (CECILL-2.1)