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Addition of optional energy-dependent peak width model to XEDS pytorc… - #311
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nwvlahakis wants to merge 1 commit into
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…h spectrum fitting code
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…h spectrum fitting code
What problem this PR addresses
Adds an energy-dependent width model option for peaks in an XEDS spectrum for spectrum fitting by fit_spectrum_pytorch. This was found to be useful for a number of low-SNR, low-dose datasets, such as
those from soft materials or bio samples.
Spectrum fitting output using current function in dev:
Spectrum fitting output in revised code with arguments
peak_width=0.02,
peak_width_b=0.0425,
width_model='energy_dependent':
The original behavior of the function can still be achieved for datasets that do not benefit from it.
For this example dataset with high-SNR XEDS signals, using the arguments
width_model='constant',
freeze_peak_width_global=False:
The behavior matches how the routine worked previously
What should the reviewer(s) do
Test fit_spectrum_pytorch with width_model='constant', freeze_peak_width_global=False, confirming original functionality still works if desired, on data that were fit by this function previously.
Test fit_spectrum_pytorch with width_model='energy_dependent' (freeze_peak_width_global=False, and adjustments to peak_width and peak_width_b inputs, may also be needed depending on the data) on XEDS datasets where broadening of peaks as a function of energy is apparent. Please provide any feedback or suggested edits you think are needed!