RECETOX / recetox-aplcms

This is a custom fork of apLCMS containing adaptations for large scale studies.
GNU General Public License v2.0
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Re-implement peak detection module #184

Open hechth opened 1 year ago

hechth commented 1 year ago

The peak detection module in prof.to.features should be re-implemented using the peak shape functions available in SummitR, starting with the bi-gaussian and gaussian peak shape.

The new implementation should separate the optimization from the actual peak shape and also the choice of (unsupervised) model estimation - may it be the EM algorithm or the Moment based one.

Also, the method to estimate the number of components in a peak should be separate.

TODO: Add further description of algorithm