Commit | Date | |
---|---|---|
[r21612]
by
bugman
The grid search for the MMQ-type models now looks for negative chemical shift differences. |
2013-11-22 18:03:06 | Tree |
[r21611]
by
bugman
Fix for the legends in the Grace graphs produced by the relax_disp.plot_disp_curves user function. |
2013-11-22 17:50:57 | Tree |
[r21610]
by
bugman
Fixes for all of the Relax_disp.test_korzhnev_2005_*_data system tests. These now start optimising at the solution found by cpmg_fit. All tests now pass. |
2013-11-22 17:45:35 | Tree |
[r21609]
by
bugman
Updated the Relax_disp.test_sprangers_data_to_mq_cr72 system test to pass. The 'MQ CR72' model is now much more accurate due to a number of recent bug fixes. |
2013-11-22 16:33:35 | Tree |
[r21608]
by
bugman
Updated all of the cpmg_fit results to use the numeric 2-site CPMG model. This also uses the modified cpmg_fit binary with higher accuracy. |
2013-11-22 16:23:32 | Tree |
[r21607]
by
bugman
The Relax_disp.test_korzhnev_2005_all_data system test no longer dumps files in the current directory. |
2013-11-22 16:04:44 | Tree |
[r21606]
by
bugman
Fixes for a number of dispersion system tests due to the higher accuracy of the tau_CPMG values. This is required as the tau_CPMG values have been corrected to eliminate user input truncation |
2013-11-22 15:59:51 | Tree |
[r21605]
by
bugman
Eliminated the MODEL_LIST_CPMG_NUM variable. This was far too specific and its misuse caused a bug in the target function of a number of |
2013-11-22 15:50:47 | Tree |
[r21604]
by
bugman
Fixes for the relaxation dispersion system tests for the changed behaviour of the 'CR72' model. The optimisation is slightly different as values are now always passed into the numpy.arccosh() |
2013-11-22 15:44:39 | Tree |
[r21603]
by
bugman
Updated the cpmg_fit results for the CPMG data of Korzhnev et al., 2005. This is using a modified binary wherein the gyromagnetic ratio and optimisation tolerances and |
2013-11-22 15:33:56 | Tree |