Commit | Date | |
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[r21573]
by
bugman
The relaxation dispersion calculate user function now stores the back calculated R2eff values. A number of changes were required for this. The code from the end of the Disp_result_command.run() |
2013-11-21 12:55:14 | Tree |
[r21572]
by
bugman
Bug fix for the multiple quantum relaxation dispersion models. These require both the heteronuclear and proton chemical shift differences. But the proton |
2013-11-21 10:42:43 | Tree |
2013-11-21 10:07:08 | Tree | |
[r21570]
by
bugman
Created the Relax_disp.test_korzhnev_2005_all_data system test for checking the 'MMQ 2-site' model. This checks against all six data types, 1H SQ, 15N SQ, DQ, ZQ, 1H MQ, and 15N MQ. This is currently |
2013-11-21 09:34:26 | Tree |
[r21569]
by
bugman
Bug fix for the specific_analyses.relax_disp.disp_data.find_intensity_keys() function. This function was not handling multiple experiment types correctly. |
2013-11-21 09:12:44 | Tree |
[r21568]
by
bugman
Improvement for the file names in the relax_disp.plot_disp_curves user function. The '_' character is now used between the experiment name and the rest of the file name. |
2013-11-21 09:11:54 | Tree |
[r21567]
by
bugman
Updated the Relax_disp.test_korzhnev_2005_15n_dq_data system test so it passes. The optimised values are very similar to that from cpmg_fit, so the code must be functioning |
2013-11-20 21:43:33 | Tree |
[r21566]
by
bugman
Better support for the MMQ-type data dispersion models for the end of the optimisation. The back calculated R2eff values are now handled correctly for the attached proton in the spin |
2013-11-20 21:28:31 | Tree |
2013-11-20 21:00:13 | Tree | |
2013-11-20 19:33:39 | Tree |