annotate README.md @ 0:b58b229c4cbf draft

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