Mercurial > repos > recetox > matchms_filtering
comparison matchms_filtering.xml @ 14:da15e8ea3b28 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b797ce0fea5cb3d9a0cf0ec31a21f9b73f112b4e
| author | recetox |
|---|---|
| date | Mon, 15 Jan 2024 12:29:06 +0000 |
| parents | ca5a8db023e1 |
| children | 86d265d2a334 |
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| 13:ca5a8db023e1 | 14:da15e8ea3b28 |
|---|---|
| 1 <tool id="matchms_filtering" name="matchms filtering" version="@TOOL_VERSION@+galaxy1" profile="21.09"> | 1 <tool id="matchms_filtering" name="matchms filtering" version="@TOOL_VERSION@+galaxy2" profile="21.09"> |
| 2 <description>filter and normalize mass spectrometry data</description> | 2 <description>filter and normalize mass spectrometry data</description> |
| 3 | 3 |
| 4 <macros> | 4 <macros> |
| 5 <import>macros.xml</import> | 5 <import>macros.xml</import> |
| 6 <import>help.xml</import> | 6 <import>help.xml</import> |
| 173 <output name="output" file="filtering/mz_range.msp" ftype="msp"/> | 173 <output name="output" file="filtering/mz_range.msp" ftype="msp"/> |
| 174 </test> | 174 </test> |
| 175 <test> | 175 <test> |
| 176 <param name="spectra" value="filtering/require_filter.msp" ftype="msp"/> | 176 <param name="spectra" value="filtering/require_filter.msp" ftype="msp"/> |
| 177 <param name="require_smiles_is_true" value="TRUE"/> | 177 <param name="require_smiles_is_true" value="TRUE"/> |
| 178 <output name="output" file="filtering/require_smiles_out.msp" ftype="msp"/> | 178 <output name="output" file="filtering/require_out.msp" ftype="msp"/> |
| 179 </test> | 179 </test> |
| 180 <test> | 180 <test> |
| 181 <param name="spectra" value="filtering/require_filter.msp" ftype="msp"/> | 181 <param name="spectra" value="filtering/require_filter.msp" ftype="msp"/> |
| 182 <param name="require_inchi_is_true" value="TRUE"/> | 182 <param name="require_inchi_is_true" value="TRUE"/> |
| 183 <output name="output" file="filtering/require_inchi_out.msp" ftype="msp"/> | 183 <output name="output" file="filtering/require_out.msp" ftype="msp"/> |
| 184 </test> | 184 </test> |
| 185 <test> | 185 <test> |
| 186 <param name="spectra" value="filtering/input.msp" ftype="msp"/> | 186 <param name="spectra" value="filtering/input.msp" ftype="msp"/> |
| 187 <section name="reduce_to_top_n_peaks"> | 187 <section name="reduce_to_top_n_peaks"> |
| 188 <param name="is_true" value="TRUE"/> | 188 <param name="is_true" value="TRUE"/> |