epraya.Metro1

Metro1(Hamer, Exp, Var, dat, maximal, datype='data', mode='p')

Fitting adjutsment of the experimental data using a modified Metrópolis-Simulated annealing approach for a single system.

Parameters:

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

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

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

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

• maximal (int) – Max. number of evaluations of 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:

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