RECETOX / galaxytools

Set of Galaxy tool wrappers developed at RECETOX
MIT License
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Updated matchms_convert tool #358

Closed zargham-ahmad closed 1 year ago

zargham-ahmad commented 1 year ago

This PR includes the following:

closes #242

hechth commented 1 year ago

@zargham-ahmad when I converted one of the libraries (Exposome pesticides) to NIST, the retention time field key is not written, but the value is -is there no key defined for retention time in matchms for this style or what happened here?

zargham-ahmad commented 1 year ago

@zargham-ahmad when I converted one of the libraries (Exposome pesticides) to NIST, the retention time field key is not written, but the value is -is there no key defined for retention time in matchms for this style or what happened here?

that is because we don't have any entry for retention time for nist but the empty key should not have been written to the file. here is the link to the issue https://github.com/matchms/matchms/issues/422 and the fix for it https://github.com/matchms/matchms/pull/423