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SVN archive Commit Log


Commit Date  
[r21770] by bugman

Renamed the 'ns_mmq_3site_branched' dispersion test data directory to 'ns_mmq_3site'.

2013-12-04 11:21:09 Tree
[r21769] by bugman

Speed up of the Relax_disp.test_ns_mmq_3site system test.

The relax_disp.plot_disp_curves user function call is now skipped as it takes too long.

2013-12-04 11:19:37 Tree
[r21768] by bugman

Loosened the chi-squared check of the Relax_disp.test_ns_mmq_3site system test to allow it to pass.

2013-12-04 11:19:05 Tree
[r21767] by bugman

Another fix for the 'NS MMQ 3-site' dispersion models.

The creation of the Z- matrix had a copy and paste error in that the heteronuclear chemical shift
sign was negated when it should be positive. This was only in one of the two chemical shift
numbers.

2013-12-04 11:16:24 Tree
[r21766] by bugman

Bug fixes for the dispersion analysis when certain data sets are completely missing.

2013-12-04 10:51:08 Tree
[r21765] by bugman

Removed a debugging printout.

2013-12-04 10:30:01 Tree
[r21764] by bugman

Fixes for the 'NS MMQ 3-site' dispersion models - the evolution matrix is now correctly constructed.

2013-12-04 10:29:25 Tree
[r21763] by bugman

Added the results of cpmg_fit minimisation of the cpmg_fit synthetic data for the 'NS MMQ 3-site' model.

2013-12-04 09:43:10 Tree
[r21762] by bugman

Huge speed ups of the relaxation dispersion analysis.

This is due to the removal of huge inefficiencies in the loop_point(), return_cpmg_frqs() and
return_spin_lock_nu1() functions of the specific_analysis.relax_disp.disp_data module. Two new
functions return_cpmg_frqs_single() and return_spin_lock_nu1_single() have been introduces to pull
out the nu_CPMG and spin-lock field strengths for a given experiment and spectrometer frequency.
This avoids calling the loop_exp() and loop_frq() functions from within loop_point() which itself
is often called inside a loop_exp() and loop_frq() sequence.

2013-12-04 08:42:18 Tree
[r21761] by bugman

Completed the 'MMQ 2-site' documentation in the manual.

The equations for the numeric evolution of SQ, ZQ and DQ data was missing.

2013-12-03 19:15:13 Tree
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