atomcloud.analysis.fit_metrics module

atomcloud.analysis.fit_metrics.calc_chi_squared(num_parameters, actual_data, fit_data, sigma=None)[source]

Calculates the chi squared value and the reduced chi squared value for a fit.

Parameters:

  • num_parameters (int) – The number of parameters in the fit.

  • actual_data (ndarray) – The actual data that was fit.

  • fit_data (ndarray) – Fit corresponding to original coord points based on fit parameters.

  • sigma (ndarray | None) – The standard deviation of the data can be used to weight the chi squared value.

Returns:

The chi squared value and the reduced chi squared value.

Return type:

list[float]