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glasgowcompbio / vimms

A programmable and modular LC/MS simulator in Python
MIT License
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Isolating multiple chemicals produces only one fragevent in the scan #238

Closed joewandy closed 2 years ago

joewandy commented 2 years ago

If multiple chemicals are isolated, only the last frag event is included in the fragevent attribute of the scan. This seems wrong -- particularly for DIA evaluation.

https://github.com/glasgowcompbio/vimms/blob/master/vimms/MassSpec.py#L691-L693

Solution is to store a list of fragevents associated with this scan.