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Roestlab / massdash

MassDash: A web-based dashboard for streamlined DIA-MS visualization, analysis, prototyping, and optimization
https://massdash.streamlit.app/
BSD 3-Clause "New" or "Revised" License
16 stars 3 forks source link

[REFACTOR] Targeted Extraction with pyOpenMS #84

Open singjc opened 8 months ago

singjc commented 8 months ago

Currently the targeted extraction in MzMLDataAccess.py uses pyOpenMS to access the data, but all the extraction / filtering of spectra is done in python. Expose or use extraction methods from pyOpenMS to try speed up extraction, and to be inline with how OpenSwathWorkflow performs extraction.