MannLabs / alphadia

modular & open DIA search
https://alphadia.readthedocs.io
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MS2 Optimizer #283

Closed odespard closed 3 months ago

odespard commented 3 months ago

This is a draft that does not change the working of the current code but starts a file called optimizer.py in the alphadia/workflow folder which will be used as the basis for further changes to the way in which calibration optimization is performed. A base optimizer class is defined and an MS2 optimizer class is defined based on the base optimizer. A unit test is added for the MS2 optimizer.