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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c
author recetox
date Thu, 23 Nov 2023 09:54:20 +0000
parents 1b09315a3f87
children 8bd942dcf1ad
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1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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1 <macros>
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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2 <token name="@HELP_matchms@">
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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3 Documentation
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4 The Python library matchms provides functions to convert, filter and compare mass spectrometry data.
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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5 For an overview of the different galaxy modules, see the figure below.
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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6 For detailed documentation on the tool, see https://github.com/matchms/matchms/blob/master/README.rst
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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7 and https://matchms.readthedocs.io/en/latest/ for the Python API.
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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9 To get more familiar with the library, there is a `tutorial`_ available which explains how to build a mass spectrometry data processing
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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10 pipeline with matchms.
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1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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12 .. _tutorial: https://medium.com/escience-center/build-your-own-mass-spectrometry-analysis-pipeline-in-python-using-matchms-part-i-d96c718c68ee
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1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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14 Overview
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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15 .. image:: https://github.com/RECETOX/galaxytools/raw/29e54e69dab6ab1263f56d35ea19f5d7f284d728/tools/matchms/images/matchms_galaxytools.png
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16 :width: 3120
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17 :height: 1686
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18 :scale: 30
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19 :alt: Overview of different matchms galaxytools and how they are connected.
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20 </token>
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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21 <token name="@HELP_matchms_networking@">
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22 <![CDATA[
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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23 Documentation
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24 For documentation on the tool see https://github.com/matchms/matchms/blob/master/README.rst
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25 and https://matchms.readthedocs.io/en/latest/.
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1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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27 **Upstream Tools**
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29 matchms similarity
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1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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31 **Downstream Tools**
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33 The output is a network-graph file that can be visualized using graph visualization software (e.g., Cytoscape).
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34 ]]>
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35 </token>
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37 <token name="@HELP_formatter@">
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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38 <![CDATA[
1b09315a3f87 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
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39 Usage
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40 This tool creates user friendly tables from the similarity scores produced by **matchms similarity**.
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41 The tool can be operated on two modes based on (i) thresholds or (ii) top k matches.
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43 Input Table Format
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44 The tool expects a JSON file containing serialized matchms Scores object.
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46 Output Table Format
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47 +----------+-----------+---------+--------+
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48 | query | reference | matches | scores |
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49 +==========+===========+=========+========+
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50 | C001 | Glycine | 6 | 0.5 |
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51 +----------+-----------+---------+--------+
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52 | C002 | Glycine | 3 | 0.34 |
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53 +----------+-----------+---------+--------+
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54 | ... | ... | ... | ... |
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55 +----------+-----------+---------+--------+
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56 ]]>
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57 </token>
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58 </macros>