Consistency testing script mode - relaxation data loading

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 spin system. Note that if the relaxation data files contain spin information, then this order is not important. For this analysis, only data for a single field strength can be loaded:

[firstnumber=41]
# Load the 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=62]
# Set the frequency.
consistency_tests.set_frq(frq=600.0 * 1e6)



The relax user manual (PDF), created 2016-10-28.