Mercurial > repos > lain > ms_to_peakforest_it
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author | lain |
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date | Wed, 30 Aug 2023 14:21:18 +0000 |
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# MS to Peakforest Metadata -------- * **@name**: MS2PF * **@version**: 1.2.1 * **@authors**: Lain Pavot (PFEM - INRAE - MetaboHUB) * **@maintainers**: Lain Pavot (PFEM - INRAE - MetaboHUB) * **@init date**: 2022, November * **@main usage**: Generates peakforest forms, auto-filled with data and metadata provided with files or parametres. Lets you check data and metadata, correct, and send them to the peakforest instance of you choice. test ---- Test with FragNot data ```sh input='Galaxy10-[Cmpd1-1__INCHIKEY___GIAZPLMMQOERPN-UHFFFAOYSA-N__RT___0..ABINITIOFRAGNOT_PForest.tabular].tabular' input="test-data/${input}" ./server.py \ --input ''${input}'',''${input}'',''${input}'' \ --raw-metadata \'${input},${input},${input}\' \ --method cf_pfem_urine_qtof \ --peakforest-url https://metabohub.peakforest.org \ --scan-type ms \ --polarity positive \ --name 'test1,test2,test3' ``` Test with MS2Snoop data ```sh input='out-smol-base.tsv' input="test-data/${input}" ./server.py \ --input ''${input}'' \ --method cf_pfem_urine_qtof \ --pf_url https://nightly.peakforest.org \ --scan_type ms \ --polarity positive ``` Services provided ----------------- * Help and support: support@workflow4metabolomics.org License ------- * Cea Cnrs Inria Logiciel Libre License, version 2.1 (CECILL-2.1)