# HG changeset patch # User recetox # Date 1717485140 0 # Node ID ad9d2d1b2b8d5eb98103777470563066959d794b # Parent c2d546691b7af44a642d7f6f18244241abbd1392 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 2abca9206b76bf42e6322d751ed3a31a6cc003a4 diff -r c2d546691b7a -r ad9d2d1b2b8d test-data/remove_spectra/require_filter.msp --- a/test-data/remove_spectra/require_filter.msp Thu May 30 18:08:52 2024 +0000 +++ b/test-data/remove_spectra/require_filter.msp Tue Jun 04 07:12:20 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 c2d546691b7a -r ad9d2d1b2b8d test-data/remove_spectra/require_inchi_removed_spectra.msp --- a/test-data/remove_spectra/require_inchi_removed_spectra.msp Thu May 30 18:08:52 2024 +0000 +++ b/test-data/remove_spectra/require_inchi_removed_spectra.msp Tue Jun 04 07:12:20 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