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 |
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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) |