Annotating precursor peak.

bittremieux / spectrum_utils

Python package for efficient mass spectrometry data processing and visualization

https://spectrum-utils.readthedocs.io/

Apache License 2.0

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Annotating precursor peak. #31

Closed jopoehls closed 2 years ago

jopoehls commented 2 years ago

Hi, I would like to have the precursor peak annotated as well in the plotted spectrum. If this is already possible, please tell me how and I am gone immediately, but it seems 'ion_types' can only be [abcxyz]. Is it possible to implement this? There seems to be already a functionality to detect the precursor peak based on the calculated mass and the tolerance, so I am hoping it would mostly be about the visualisation. Anyways, thanks for the great work on this!

Jonas

bittremieux commented 2 years ago

Hi Jonas, the latest version v0.3.5 indeed only annotates a,b,c,x,y,z ions. Precursor peak annotation has already been implemented, but the new code has not been published in a new release yet because I still need to finish up some unit tests and documentation. This functionality will become available relatively soon.