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SVN archive Commit Log


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
saved after deleting the spin specific r2eff_sim structures so that the file drops from 388 Mb in
size to 7.3 kb.

2013-05-28 12:09:21 Tree
[r19755] by bugman

Updates some scripts for the spectrometer.frequency user function change.

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
executes the relax_disp.r2eff_setup user function.

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.
It replaces the hardcoded variable.

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
reliably reproducing results in the subsequent dispersion models.

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
loaded and enables R1rho analyses at a single field strength.

2013-05-27 12:35:27 Tree
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