# HG changeset patch # User recetox # Date 1717485016 0 # Node ID dd49ef90297cbf4d3c0935c1b0ce22923fd63b5d # Parent e337075d0aaa5c692618370c768b481e16b020f1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 2abca9206b76bf42e6322d751ed3a31a6cc003a4 diff -r e337075d0aaa -r dd49ef90297c test-data/remove_spectra/require_filter.msp --- a/test-data/remove_spectra/require_filter.msp Thu May 30 18:07:03 2024 +0000 +++ b/test-data/remove_spectra/require_filter.msp Tue Jun 04 07:10:16 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 e337075d0aaa -r dd49ef90297c test-data/remove_spectra/require_inchi_removed_spectra.msp --- a/test-data/remove_spectra/require_inchi_removed_spectra.msp Thu May 30 18:07:03 2024 +0000 +++ b/test-data/remove_spectra/require_inchi_removed_spectra.msp Tue Jun 04 07:10:16 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