Mercurial > repos > lain > ms_to_peakforest_it
diff README.md @ 0:b58b229c4cbf draft
planemo upload commit 523a9c8df173302ad38e9f15e7d82eab01736551-dirty
author | lain |
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date | Fri, 03 Mar 2023 14:10:24 +0000 |
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children | 7e3085fc60c1 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.md Fri Mar 03 14:10:24 2023 +0000 @@ -0,0 +1,56 @@ +# MS to Peakforest + + +Metadata +-------- + + * **@name**: MS2PF + * **@version**: 1.1.0 + * **@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)