| Previous changeset 18:a3d2f919cb98 (2024-05-30) Next changeset 20:c990df6afc24 (2024-07-15) |
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Commit message:
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 2abca9206b76bf42e6322d751ed3a31a6cc003a4 |
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modified:
test-data/remove_spectra/require_filter.msp test-data/remove_spectra/require_inchi_removed_spectra.msp |
| b |
| diff -r a3d2f919cb98 -r 692471e62c68 test-data/remove_spectra/require_filter.msp --- a/test-data/remove_spectra/require_filter.msp Thu May 30 18:06:40 2024 +0000 +++ b/test-data/remove_spectra/require_filter.msp Tue Jun 04 07:09:46 2024 +0000 |
| b |
| @@ -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 |
| b |
| diff -r a3d2f919cb98 -r 692471e62c68 test-data/remove_spectra/require_inchi_removed_spectra.msp --- a/test-data/remove_spectra/require_inchi_removed_spectra.msp Thu May 30 18:06:40 2024 +0000 +++ b/test-data/remove_spectra/require_inchi_removed_spectra.msp Tue Jun 04 07:09:46 2024 +0000 |
| b |
| @@ -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 |