Matchms

Latest version: v0.28.2

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0.24.1

0.24.0

0.23.1

Added
- Additional tests for filter pipeline order
- ProcessingReport. This adds an overview of the number of spectra changed by each filter step. (multiple PR's)
- `repair_not_matching_annotation` filter [505](https://github.com/matchms/matchms/pull/505)
- Missing docstring documentions [507](https://github.com/matchms/matchms/pull/507)

Changed

- Logger warning for rdkit molecule conversion [507](https://github.com/matchms/matchms/pull/507)
- Repair_smiles_from_compound_name, now works without matchmsextras [509](https://github.com/matchms/matchms/pull/509/)
- pubchempy was added as dependency
- Default filters are now stored in the yaml file as separate filters [496](https://github.com/matchms/matchms/pull/496)
- Duplicated filters are only added once to the pipeline [524](https://github.com/matchms/matchms/pull/524)
- Custom filters are added after default filters or at a position specified by the user [498](https://github.com/matchms/matchms/pull/498)
- The file structure of metadata_utils was refactored [503](https://github.com/matchms/matchms/pull/503)
- interpret_pepmass now removes the pepmass field after entering precursor_mz [533](https://github.com/matchms/matchms/pull/533)
- Filters that did not have any effect are also mentioned in processing report [530](https://github.com/matchms/matchms/pull/530)
- Added regex to pepmass reading to properly interpret string representations [539](https://github.com/matchms/matchms/pull/539)


Fixed

- handle missing weight information in `repair_parent_mass_is_mol_wt` filter [507](https://github.com/matchms/matchms/pull/507)
- handle missing smiles in `repair_smiles_of_salts` filter [507](https://github.com/matchms/matchms/pull/507)
- The filter settings are now stored as well in logging. [536](https://github.com/matchms/matchms/pull/536)

0.22.0

0.21.2

0.21.1

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