Ideas for new features (non-authentication methods)

mbfong commented 1 month ago

The following methods are not related to authentication but may be of interest to some users and would be useful to include in a chemometric toolbox.

Piecewise Direct Standardization (https://pubs.acs.org/doi/10.1021/ac00023a016?src=getftr): Can be useful as a pre-processing step to standardize spectra measured on different instruments before classification with a SIMCA model
PARAFAC (https://www.sciencedirect.com/science/article/pii/S0169743997000324): Multiway deconvolution method
Multivariate Curve Resolution (https://pubs.rsc.org/en/content/articlelanding/2014/ay/c4ay00571f): Deconvolution method

mahynski commented 1 month ago

Excellent suggestions, thank you! Hopefully, we get these implemented in a (near) future release.

mahynski commented 3 weeks ago

Some additional pre-existing python implementations - FYI:

PDS - should be simple enough to implement, but other packages also exist: e.g., https://pypi.org/project/pycaltransfer/
PARAFAC - see tensorly package: https://tensorly.org/stable/user_guide/tensor_decomposition.html
MCR - see pyMCR: https://pages.nist.gov/pyMCR/

mahynski / pychemauth