Mercurial > repos > recetox > matchms_similarity
comparison help.xml @ 0:e5010b19d64d draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
author | recetox |
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date | Tue, 27 Jun 2023 14:26:29 +0000 |
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1 <macros> | |
2 <token name="@HELP_matchms@"> | |
3 Documentation | |
4 The Python library matchms provides functions to convert, filter and compare mass spectrometry data. | |
5 For an overview of the different galaxy modules, see the figure below. | |
6 For detailed documentation on the tool, see https://github.com/matchms/matchms/blob/master/README.rst | |
7 and https://matchms.readthedocs.io/en/latest/ for the Python API. | |
8 | |
9 To get more familiar with the library, there is a `tutorial`_ available which explains how to build a mass spectrometry data processing | |
10 pipeline with matchms. | |
11 | |
12 .. _tutorial: https://medium.com/escience-center/build-your-own-mass-spectrometry-analysis-pipeline-in-python-using-matchms-part-i-d96c718c68ee | |
13 | |
14 Overview | |
15 .. image:: https://github.com/RECETOX/galaxytools/raw/29e54e69dab6ab1263f56d35ea19f5d7f284d728/tools/matchms/images/matchms_galaxytools.png | |
16 :width: 3120 | |
17 :height: 1686 | |
18 :scale: 30 | |
19 :alt: Overview of different matchms galaxytools and how they are connected. | |
20 </token> | |
21 <token name="@HELP_matchms_networking@"> | |
22 <![CDATA[ | |
23 Documentation | |
24 For documentation on the tool see https://github.com/matchms/matchms/blob/master/README.rst | |
25 and https://matchms.readthedocs.io/en/latest/. | |
26 | |
27 **Upstream Tools** | |
28 | |
29 matchms similarity | |
30 | |
31 **Downstream Tools** | |
32 | |
33 The output is a network-graph file that can be visualized using graph visualization software (e.g., Cytoscape). | |
34 ]]> | |
35 </token> | |
36 | |
37 <token name="@HELP_formatter@"> | |
38 <![CDATA[ | |
39 Usage | |
40 This tool creates user friendly tables from the similarity scores produced by **matchms similarity**. | |
41 The tool can be operated on two modes based on (i) thresholds or (ii) top k matches. | |
42 | |
43 Input Table Format | |
44 The tool expects a JSON file containing serialized matchms Scores object. | |
45 | |
46 Output Table Format | |
47 +----------+-----------+---------+--------+ | |
48 | query | reference | matches | scores | | |
49 +==========+===========+=========+========+ | |
50 | C001 | Glycine | 6 | 0.5 | | |
51 +----------+-----------+---------+--------+ | |
52 | C002 | Glycine | 3 | 0.34 | | |
53 +----------+-----------+---------+--------+ | |
54 | ... | ... | ... | ... | | |
55 +----------+-----------+---------+--------+ | |
56 ]]> | |
57 </token> | |
58 </macros> |