# HG changeset patch # User recetox # Date 1717485109 0 # Node ID 07cac38cbd2997f50f07764f0c7eadd56bf52201 # Parent 86d265d2a3348bed90aa07803423fa323913af37 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 2abca9206b76bf42e6322d751ed3a31a6cc003a4 diff -r 86d265d2a334 -r 07cac38cbd29 test-data/remove_spectra/require_filter.msp --- a/test-data/remove_spectra/require_filter.msp Thu May 30 18:08:27 2024 +0000 +++ b/test-data/remove_spectra/require_filter.msp Tue Jun 04 07:11:49 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 86d265d2a334 -r 07cac38cbd29 test-data/remove_spectra/require_inchi_removed_spectra.msp --- a/test-data/remove_spectra/require_inchi_removed_spectra.msp Thu May 30 18:08:27 2024 +0000 +++ b/test-data/remove_spectra/require_inchi_removed_spectra.msp Tue Jun 04 07:11:49 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