Commit | Date | |
---|---|---|
[r19756]
by
bugman
Created a script to calculate the R2eff rate errors extremely precisely for Hansen's CPMG data. This uses 1 million Bootstrap simulations for calculating the errors. The 'r2eff_values.bz2' is |
2013-05-28 12:09:21 | Tree |
2013-05-28 10:31:30 | Tree | |
[r19754]
by
bugman
The relaxation dispersion auto-analysis now handles the Bootstrapping simulations. The bootstrap_sim_num argument can now be passed into the auto-analysis, and the run() method then |
2013-05-28 09:41:25 | Tree |
[r19753]
by
bugman
Created the relax_disp.r2eff_setup user function. This is required to set the number of Bootstrapping simulations to use in the calc user function. |
2013-05-28 09:37:19 | Tree |
[r19752]
by
bugman
Created the specific_analyses.relax_disp.disp_data.spin_has_frq_data() function. This is for determining if a spin has peak intensity for the given spectrometer field strength. |
2013-05-28 09:27:35 | Tree |
[r19751]
by
bugman
Massively increased the precision of the R2eff error analysis. The hard-coded simulation number variable is now set to 100000. This appears to be necessary for |
2013-05-28 08:50:44 | Tree |
[r19750]
by
bugman
Added printouts of the optimised parameters to the Relax_disp.test_hansen_cpmg_data_LM63 system test. This includes the conversion to the equivalent CPMGFit parameters. |
2013-05-28 08:47:06 | Tree |
[r19749]
by
bugman
Fixes for the relaxation dispersion auto-analysis for the LM63 model. The Rex parameter is now the phi_ex parameter. |
2013-05-28 08:46:14 | Tree |
[r19748]
by
bugman
Fix for the LM63 dispersion model target function - the scaled Phi_ex value is now used for the R2. |
2013-05-28 07:36:32 | Tree |
[r19747]
by
bugman
The specific_analyses.relax_disp.disp_data.loop_frq() function can now handle missing data. This allows the loop to yield a single value of None when the spectrometer information has not been |
2013-05-27 12:35:27 | Tree |