Mercurial > repos > lain > ms_to_peakforest_it
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author | lain |
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date | Fri, 03 Mar 2023 14:10:24 +0000 |
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1 # MS to Peakforest | |
2 | |
3 | |
4 Metadata | |
5 -------- | |
6 | |
7 * **@name**: MS2PF | |
8 * **@version**: 1.1.0 | |
9 * **@authors**: Lain Pavot (PFEM - INRAE - MetaboHUB) | |
10 * **@maintainers**: Lain Pavot (PFEM - INRAE - MetaboHUB) | |
11 * **@init date**: 2022, November | |
12 * **@main usage**: | |
13 Generates peakforest forms, auto-filled with data and metadata provided | |
14 with files or parametres. | |
15 Lets you check data and metadata, correct, and send them to the peakforest | |
16 instance of you choice. | |
17 | |
18 test | |
19 ---- | |
20 | |
21 Test with FragNot data | |
22 ```sh | |
23 input='Galaxy10-[Cmpd1-1__INCHIKEY___GIAZPLMMQOERPN-UHFFFAOYSA-N__RT___0..ABINITIOFRAGNOT_PForest.tabular].tabular' | |
24 input="test-data/${input}" | |
25 ./server.py \ | |
26 --input ''${input}'',''${input}'',''${input}'' \ | |
27 --raw-metadata \'${input},${input},${input}\' \ | |
28 --method cf_pfem_urine_qtof \ | |
29 --peakforest-url https://metabohub.peakforest.org \ | |
30 --scan-type ms \ | |
31 --polarity positive \ | |
32 --name 'test1,test2,test3' | |
33 ``` | |
34 | |
35 Test with MS2Snoop data | |
36 ```sh | |
37 input='out-smol-base.tsv' | |
38 input="test-data/${input}" | |
39 ./server.py \ | |
40 --input ''${input}'' \ | |
41 --method cf_pfem_urine_qtof \ | |
42 --pf_url https://nightly.peakforest.org \ | |
43 --scan_type ms \ | |
44 --polarity positive | |
45 ``` | |
46 | |
47 Services provided | |
48 ----------------- | |
49 | |
50 * Help and support: support@workflow4metabolomics.org | |
51 | |
52 | |
53 License | |
54 ------- | |
55 | |
56 * Cea Cnrs Inria Logiciel Libre License, version 2.1 (CECILL-2.1) |