Mercurial > repos > recetox > matchms_formatter
diff macros.xml @ 4:966b4134ad12 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de
author | recetox |
---|---|
date | Tue, 18 Oct 2022 11:02:18 +0000 |
parents | 28a252f3b682 |
children | f9c4f477ae91 |
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--- a/macros.xml Wed Sep 21 15:29:51 2022 +0000 +++ b/macros.xml Tue Oct 18 11:02:18 2022 +0000 @@ -1,5 +1,5 @@ <macros> - <token name="@TOOL_VERSION@">0.15.0</token> + <token name="@TOOL_VERSION@">0.17.0</token> <xml name="creator"> <creator> @@ -9,6 +9,11 @@ url="https://github.com/hechth" identifier="0000-0001-6744-996X" /> <person + givenName="Maksym" + familyName="Skoryk" + url="https://github.com/maximskorik" + identifier="0000-0003-2056-8018" /> + <person givenName="Zargham" familyName="Ahmad" url="https://github.com/zargham-ahmad" @@ -19,7 +24,7 @@ name="RECETOX MUNI" /> </creator> </xml> - + <token name="@HELP_matchms@"> <![CDATA[ Documentation @@ -36,29 +41,18 @@ +-----------+---------------+--------+-----------+ Downstream Tools - The outputs are two tsv datasets. One containing the similarity scores and the other number of matched peaks. + The output is a JSON file containing serialized matchMS Scores object. The file can be processed by **matchMS output formatter**. ]]> </token> <token name="@HELP_formatter@"> <![CDATA[ Usage - This tool creates user friendly tables from the data matrices produces by matchms. + This tool creates user friendly tables from the similarity scores produced by **matchMS similarity**. The tool can be operated on two modes based on (i) thresholds or (ii) top k matches. Input Table Format - The tool expects two data matrices with the format as depicted below. - The tool assumes the reference compound labels as row labels and the query labels as column labels (as naturally outputted by matchms). - - +----------+------+------+-----+ - | | C001 | C002 | ... | - +==========+======+======+=====+ - | Perylene | 0.1 | 0.0 | ... | - +----------+------+------+-----+ - | Glycine | 0.5 | 0.34 | ... | - +----------+------+------+-----+ - | ... | ... | ... | ... | - +----------+------+------+-----+ + The tool expects a JSON file containing serialized matchMS Scores object. Output Table Format +----------+-----------+---------+--------+