Mercurial > repos > workflow4metabolomics > ms2snoop
annotate README.md @ 1:df2672c37732 draft
planemo upload commit 42359ca78388ce5221bc88905a78c996c758aa43
author | workflow4metabolomics |
---|---|
date | Tue, 24 May 2022 18:14:49 +0000 |
parents | 91a3242fd67f |
children | c68c94865667 |
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) |