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SVN archive Commit Log


Commit Date  
[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
artifacts.

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
dispersion models.

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()
function.

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
maximum number of iterations are far more accurate (to the same level as relax). The cpmg_fit
output has also been made more accurate by writing out the values to much higher precision.

2013-11-22 15:33:56 Tree
[r21602] by bugman

Updated all of the relax vs. cpmg_fit comparison files in the shared data directory.

These now show the perfect match between the programs. The cpmg_fit source code was modified to
improve the accuracy of the gyromagnetic ratio values.

2013-11-22 15:24:27 Tree
[r21601] by bugman

Big bug fixes for the 'MMQ 2-site' dispersion model.

The equations in Korzhnev et al., 2004 are incorrect! This is clear when comparing the equations in
the paper to those implemented in the cpmg_fit source code. The equations in relax have been
changed to match the correct one.

In addition, the matrix power factor must be found with the python math.floor() function and not
int() as the later will sometimes round up.

2013-11-22 14:58:32 Tree
[r21600] by bugman

Created a relax script to compare the 'MQ CR72' dispersion model results to cpmg_fit.

The cpmg_fit solution is used as the input parameters for relax, and then a calc user function call
is used to back calculate the R2eff values. These values are then plotted to show the perfect
match.

2013-11-22 10:42:17 Tree
[r21599] by bugman

Simplified the first 'MQ CR72' dispersion model formula in the manual.

2013-11-22 10:35:06 Tree
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