Hi Ed, I'm not sure about this one... You say that the following structure should have stayed as relax_sim_data. Does it mean : That all "spin" instances must be reverted to "data" ? or That only "relax_sim_spin" instances must reverted to "relax_sim_data" ? Cheers Séb :) @@ -102,57 +99,57 @@ noe = None # Get the R1, R2, and NOE values corresponding to the set frequency. - for j in xrange(data.num_ri): + for j in xrange(spin.num_ri): # R1. - if data.remap_table[j] == frq_index and data.ri_labels[j] == 'R1': + if spin.remap_table[j] == frq_index and spin.ri_labels[j] == 'R1': if sim_index == None: - r1 = data.relax_data[j] + r1 = spin.relax_spin[j] else: - r1 = data.relax_sim_data[sim_index][j] + r1 = spin.relax_sim_spin[sim_index][j]This structure should have stayed as relax_sim_data.# R2. - if data.remap_table[j] == frq_index and data.ri_labels[j] == 'R2': + if spin.remap_table[j] == frq_index and spin.ri_labels[j] == 'R2': if sim_index == None: - r2 = data.relax_data[j] + r2 = spin.relax_spin[j] else: - r2 = data.relax_sim_data[sim_index][j] + r2 = spin.relax_sim_spin[sim_index][j]Again the variable should have not been changed.# NOE. - if data.remap_table[j] == frq_index and data.ri_labels[j] == 'NOE': + if spin.remap_table[j] == frq_index and spin.ri_labels[j] == 'NOE': if sim_index == None: - noe = data.relax_data[j] + noe = spin.relax_spin[j] else: - noe = data.relax_sim_data[sim_index][j] + noe = spin.relax_sim_spin[sim_index][j]And again |