# HG changeset patch # User recetox # Date 1717485359 0 # Node ID cab0e4dcf37264c24be101a6531ac8b787a94353 # Parent c4835715c7acd2a2b5cd776c404552447388f60e planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 2abca9206b76bf42e6322d751ed3a31a6cc003a4 diff -r c4835715c7ac -r cab0e4dcf372 test-data/remove_spectra/require_filter.msp --- a/test-data/remove_spectra/require_filter.msp Thu May 30 18:11:45 2024 +0000 +++ b/test-data/remove_spectra/require_filter.msp Tue Jun 04 07:15:59 2024 +0000 @@ -4,6 +4,7 @@ PARENT_MASS: 347.930801 PUBCHEMID: 10970124 NOMINAL_MASS: 348 +RETENTION_INDEX: 0 SMILES: nan NUM PEAKS: 3 292.0 999.0 diff -r c4835715c7ac -r cab0e4dcf372 test-data/remove_spectra/require_inchi_removed_spectra.msp --- a/test-data/remove_spectra/require_inchi_removed_spectra.msp Thu May 30 18:11:45 2024 +0000 +++ b/test-data/remove_spectra/require_inchi_removed_spectra.msp Tue Jun 04 07:15:59 2024 +0000 @@ -4,6 +4,7 @@ PARENT_MASS: 347.930801 PUBCHEMID: 10970124 NOMINAL_MASS: 348 +RETENTION_INDEX: 0.0 SMILES: nan NUM PEAKS: 3 292.0 999.0