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The loading of relaxation data is straight forward. This is performed prior to the creation of the proton spins so that the data is loaded only into the 15N spin containers and not both spins for each residue. Only data for a single field strength can be loaded:
[firstnumber=13] # Load the 15N relaxation data. relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6, file='r1.600.out', res_num_col=1, data_col=3, error_col=4) relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6, file='r2.600.out', res_num_col=1, data_col=3, error_col=4) relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6, file='noe.600.out', res_num_col=1, data_col=3, error_col=4)
The frequency of the data must also be explicitly specified:
[firstnumber=28] # Select the frequency. jw_mapping.set_frq(frq=600.0 * 1e6)