relax SVN archive

svn+ssh://bugman@.../svn/relax/branches/frame_order_cleanup

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r23650 | bugman | 2014-06-05 13:15:07 +0200 (Thu, 05 Jun 2014) | 8 lines

Expanded the CaM isotropic cone test data frame_order.py optimisation script and added the results.

The optimisation is now implemented as in the auto-analysis, with an iterative increase in accuracy
of the quasi-random numerical integration together with an decrease of the function tolerance cutoff
for optimisation. The accuracy of the initial chi-squared calculation is now much higher. And the
accuracy of the initial grid search and the Monte Carlo simulations is now much lower.
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r23668 | bugman | 2014-06-05 19:00:23 +0200 (Thu, 05 Jun 2014) | 6 lines

Important fix for the 2nd rotor model of the CaM frame order test data.

The tilt angle was not set, and therefore the old data matched the non-tilted 1st rotor model. All
PCS and RDC data has been regenerated to the highest quality using 20,000,000 structures.
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r23669 | bugman | 2014-06-05 19:05:20 +0200 (Thu, 05 Jun 2014) | 3 lines

Updated the 3 Frame_order.test_cam_rotor2* system tests for the higher quality data.
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r23670 | bugman | 2014-06-06 08:38:25 +0200 (Fri, 06 Jun 2014) | 10 lines

Expanded the 2nd CaM pseudo-ellipse test data frame_order.py optimisation script.

The optimisation is now implemented as in the auto-analysis, with an iterative increase in accuracy
of the quasi-random numerical integration together with an decrease of the function tolerance cutoff
for optimisation. The accuracy of the initial chi-squared calculation is now much higher. And the
accuracy of the initial grid search and the Monte Carlo simulations is now much lower.

The results of the new optimisation have been added to the repository.
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r23671 | bugman | 2014-06-06 08:39:27 +0200 (Fri, 06 Jun 2014) | 10 lines

Expanded the CaM free-rotor isotropic cone test data frame_order.py optimisation script.

The optimisation is now implemented as in the auto-analysis, with an iterative increase in accuracy
of the quasi-random numerical integration together with an decrease of the function tolerance cutoff
for optimisation. The accuracy of the initial chi-squared calculation is now much higher. And the
accuracy of the initial grid search and the Monte Carlo simulations is now much lower.

The results of the new optimisation have been added to the repository.
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r23672 | bugman | 2014-06-06 08:59:05 +0200 (Fri, 06 Jun 2014) | 8 lines

Expanded all remaining CaM test data frame_order.py optimisation scripts.

The optimisation is now implemented as in the auto-analysis, with an iterative increase in accuracy
of the quasi-random numerical integration together with an decrease of the function tolerance cutoff
for optimisation. The accuracy of the initial chi-squared calculation is now much higher. And the
accuracy of the initial grid search and the Monte Carlo simulations is now much lower.
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r23673 | bugman | 2014-06-06 09:01:17 +0200 (Fri, 06 Jun 2014) | 5 lines

Updated the CaM 2-site to rotor model frame_order.py optimisation script for the parameter reduction.

The rotor frame order model axis spherical angles have now been converted to a single alpha angle.
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