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v0.13.1

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@luisfabib luisfabib released this 18 May 06:23
v0.13.1
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Release v0.13.1 - May 2021

Overall changes

  • Fixed the behaviour of global weights throughout DeerLab fit functions. The keyword argument weights was not having any or the expected effect in the results in some fit functions. Also fixes the behaviour of built-in plots for global fits (#168, #171).
  • Optimize default weights in global fitting according to the datasets noise levels (#169, #174).
  • Fixed a bug in snlls that was causing the confidence intervals in snlls, fitmodel and fitmultimodel to vanish for large signal scales (#165, #166).

Specific changes

  • deerload: Corrected a bug that happened in certain BES3T Bruker spectrometer files, when there are entries under the MANIPULATION HISTORY LAYER section at the end of the descriptor file. Also fixed the reading of .XGF partner files (#164).
  • snlls: The keyword argument extrapenalty now requires a function that takes both non-linear and linear parameters. Corrected the name of the keyword in the documentation (#175).
  • fitparamodel: Fixed the scaling of the output FitResult.model and FitResult.modelUncert (#173).
  • ex_pseudotitration_parameter_free: Removed Ctot from second order term in the chemicalequalibrium polynomial (#163).
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