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Fit functions Voigt and PearsonIV using special parametrization #63

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lellid
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@lellid lellid commented Feb 28, 2023

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@georgievgeorgi
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@lellid, I simplified your implementations in a lmfit-like way. The lmfit-like implementation produce compatible results with your implementations. These results are not compatible with the once from lmfit library. Could you please have a look and fix the problems? There is a notebook that illustrates the problem. For pearson4 it seems like w and sigma parameters are different but in some places their usage is mixed. Please make sure you call the variables with their names.
w might mean sigma, FWHM, HWHF and makes the code unclear. I suspect this as possible cause for the discrepancies in the results.

@georgievgeorgi
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Please provide transformation to "standard" parameters -- those available from lm-fit

@kerberizer
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@vedina Are we going to drop this one?

@vedina
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vedina commented Apr 22, 2024

lets' this stay, as it is a valid PR per se

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Coverage report

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FileStatementsMissingCoverageCoverage
(new stmts)
Lines missing
  src/ramanchada2/fitting_functions
  models.py
  models_lmfit_like.py 1-70
  pearson4_hpw.py 1-159
  pearsonivamplitudeparametrizationhpw.py 62, 205, 294, 541, 545
  voigt_nu.py 1-143
  voigtareaparametrizationnu.py 87, 222, 226-228, 288-290, 301, 303, 310-312, 316-318, 358, 365-367, 422-423, 581
  src/ramanchada2/spectrum/peaks
  find_peaks_ByIncrementalPeakAddition.py 12-15, 17-20, 22, 27, 29, 37-43, 124, 144, 179-186, 190
  tests/fitting_functions
  test_pearsonivamplitudeparametrizationhpw.py
  test_voigtareaparametrizationnu.py
  tests/spectrum/peaks
  test_PeakFittingByIncrementalPeakAddition.py
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4 participants