Mercurial > repos > recetox > assign_ri_from_comment
annotate macros.xml @ 2:97ccdb1ba47c draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 722ce0aee0a49d5bd76f261d949945adf69aae90
author | recetox |
---|---|
date | Tue, 07 May 2024 12:25:38 +0000 |
parents | 6975af39ba79 |
children |
rev | line source |
---|---|
0
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
1 <macros> |
2
97ccdb1ba47c
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 722ce0aee0a49d5bd76f261d949945adf69aae90
recetox
parents:
0
diff
changeset
|
2 <token name="@TOOL_VERSION@">0.4.1</token> |
0
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
3 <xml name="creator"> |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
4 <creator> |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
5 <person |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
6 givenName="Helge" |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
7 familyName="Hecht" |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
8 url="https://github.com/hechth" |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
9 identifier="0000-0001-6744-996X" /> |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
10 <person |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
11 givenName="Wudmir" |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
12 familyName="Rojas" |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
13 url="https://github.com/wverastegui" |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
14 identifier="0000-0001-7036-9987" /> |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
15 <organization |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
16 url="https://www.recetox.muni.cz/" |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
17 email="GalaxyToolsDevelopmentandDeployment@space.muni.cz" |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
18 name="RECETOX MUNI" /> |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
19 </creator> |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
20 </xml> |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
21 |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
22 <token name="@HELP@"> |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
23 <![CDATA[ |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
24 RIAssigner can be used to read data from .msp, .csv and .tsv files using matchms and pandas and to compute the |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
25 retention indices for the data. A reference list of retention indexed compounds (traditionally an Alkane series) |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
26 with retention times is used to compute the RI for a query dataset of retention time values using the van den |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
27 Dool method or by using cubic spline based interpolation. |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
28 ]]> |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
29 </token> |
6975af39ba79
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
recetox
parents:
diff
changeset
|
30 </macros> |