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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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Cross-link spectra annotation #69

Open jstrobaek opened 6 months ago

jstrobaek commented 6 months ago

Hi,

I was looking to annotate spectra containing cross-linked peptides (using DSS; XLMOD:02001). I can't seem to get the peaks of the cross-linked ions in the plot. Is there an option for visualizing this that I'm just missing, or is this not supported?

Thanks in advance!

bittremieux commented 6 months ago

It's not explicitly supported yet, because I'm not super familiar with cross-linking data. It's something that I'd like to better implement though.

Could you maybe share a nice cross-linking spectrum (USI preferred) and the peptides so that I can use it for testing?