Mercurial > repos > recetox > matchms_remove_spectra
comparison help.xml @ 0:80df426e7e47 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 113433b8b9790405c2c5d054aee4a29a21b77dc7
author | recetox |
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date | Thu, 30 May 2024 18:07:29 +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 Overview | |
10 .. image:: https://github.com/RECETOX/galaxytools/raw/29e54e69dab6ab1263f56d35ea19f5d7f284d728/tools/matchms/images/matchms_galaxytools.png | |
11 :width: 3120 | |
12 :height: 1686 | |
13 :scale: 30 | |
14 :alt: Overview of different matchms galaxytools and how they are connected. | |
15 </token> | |
16 <token name="@HELP_matchms_networking@"> | |
17 <![CDATA[ | |
18 Documentation | |
19 For documentation on the tool see https://github.com/matchms/matchms/blob/master/README.rst | |
20 and https://matchms.readthedocs.io/en/latest/. | |
21 | |
22 **Upstream Tools** | |
23 | |
24 matchms similarity | |
25 | |
26 **Downstream Tools** | |
27 | |
28 The output is a network-graph file that can be visualized using graph visualization software (e.g., Cytoscape). | |
29 ]]> | |
30 </token> | |
31 | |
32 <token name="@HELP_formatter@"> | |
33 <![CDATA[ | |
34 Usage | |
35 This tool creates user friendly tables from the similarity scores produced by **matchms similarity**. | |
36 The tool can be operated on two modes based on (i) thresholds or (ii) top k matches. | |
37 | |
38 Input Table Format | |
39 The tool expects a JSON file containing serialized matchms Scores object. | |
40 | |
41 Output Table Format | |
42 +----------+-----------+---------+--------+ | |
43 | query | reference | matches | scores | | |
44 +==========+===========+=========+========+ | |
45 | C001 | Glycine | 6 | 0.5 | | |
46 +----------+-----------+---------+--------+ | |
47 | C002 | Glycine | 3 | 0.34 | | |
48 +----------+-----------+---------+--------+ | |
49 | ... | ... | ... | ... | | |
50 +----------+-----------+---------+--------+ | |
51 ]]> | |
52 </token> | |
53 </macros> |