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RECETOX / galaxytools

Set of Galaxy tool wrappers developed at RECETOX
MIT License
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Implement explicit `matchms remove spectra` tool #507

Closed hechth closed 1 month ago

hechth commented 3 months ago

Since the matchms filtering tool got quite cluttered it would be nice to move the require filters to a dedicated tool.

This tool should have one multiselect as main input where the individual metadata fields are chosen and where spectra which don't have this metadata information are removed.

The options that should be supported are

A second input could be a boolean that can output optionally the spectra that have been removed. Another option would be to output a logfile using a identifier (compound_name preferably) or an index if this is not present and to explain because of which missing metadata entry this was removed.

If some of the filters are not available in matchms, they should be added.

The Valid Annotation option should get a help text explaining the functionality as it is implemented in matchms.

zargham-ahmad commented 2 months ago

for the below filter PR https://github.com/matchms/matchms/pull/627 https://github.com/matchms/matchms/pull/602