Mercurial > repos > recetox > matchms_remove_key
diff test-data/remove_spectra/require_inchi_removed_spectra.msp @ 9:19367db5cf3c draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 2abca9206b76bf42e6322d751ed3a31a6cc003a4
author | recetox |
---|---|
date | Tue, 04 Jun 2024 07:12:51 +0000 |
parents | 8c98b3cb320e |
children |
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--- a/test-data/remove_spectra/require_inchi_removed_spectra.msp Thu May 30 18:09:18 2024 +0000 +++ b/test-data/remove_spectra/require_inchi_removed_spectra.msp Tue Jun 04 07:12:51 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