epraya.Nelder1#

Nelder1(Hamer, Expe, Vara, exper, eps=1e-10, maximal=5000, datype='data', mode='p')#

Implementation of the Nelder Mead algorithm for fitting data for a single system.

Parameters:

  • Hamer (Class) – Container for the hamiltonian parameters.

  • Expe (Class) – Container for the experimental conditions.

  • Vara (Class) – Container for the range and parameters to vary.

  • exper (np.array) – Experimental spectrum data to fit.

  • eps (float) – Tolerance value for the error. Default is 1e-10

  • maximal (int) – Max. number of iterations to evalue the function.

  • datype (str) – Type of data to do the fitting, can be ‘data’, the data as it’s or ‘integral’, its first integral.

  • mode (str) – Defines the sample type, ‘p’ for powder and ‘c’ for monocristal.

Returns:

spce (np.array) – Best adjusted spectrum using Powder or Eresonant functions.