Relax-fit script mode - finishing off

To finish off, the script first saves the relaxation rates together with their errors in a simple text file

# Save the relaxation rates.
value.write(param='rx', file='rx.out', force=True)

Grace plots are created and viewed

# Create Grace plots of the data.
grace.write(y_data_type='chi2', file='chi2.agr', force=True)    # Minimised chi-squared value.
grace.write(y_data_type='i0', file='i0.agr', force=True)    # Initial peak intensity.
grace.write(y_data_type='rx', file='rx.agr', force=True)    # Relaxation rate.
grace.write(x_data_type='relax_times', y_data_type='peak_intensity', file='intensities.agr', force=True)    # Average peak intensities.

grace.write(x_data_type='relax_times', y_data_type='peak_intensity', norm=True, file='intensities_norm.agr', force=True)    # Average peak intensities (normalised).

and viewed

# Display the Grace plots.

and finally the program state is saved for future reference

# Save the program state.'', force=True)

The relax user manual (PDF), created 2020-08-26.