Mercurial > repos > workflow4metabolomics > ms2snoop

annotate README.md @ 7:2a1f120a6874 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload commit d9b3849751af6f74e3371db0c3525dcd08728723
author workflow4metabolomics
date Tue, 10 Jan 2023 11:07:48 +0000
parents 77abacd33c31
children
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
7
2a1f120a6874 planemo upload commit d9b3849751af6f74e3371db0c3525dcd08728723
workflow4metabolomics
parents: 6
diff changeset
8 * **@version**: 2.2.1
5
78d5a12406c2 planemo upload commit a5f94dac9b268629399dc22c5d6ac48c5a85adc3
workflow4metabolomics
parents: 4
diff changeset
9 * **@authors**: Jean François Martin (INRAE), Kevin Wagner (INRAE)
0
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)