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[r21518] by bugman

The cpmg_fit script for the Korzhnev et al., 2005 15N ZQ CPMG data now starts at the relax solution.

This is to try to find better solutions for dw and dwH, thought it was not so successful.

2013-11-19 10:56:42 Tree
[r21517] by bugman

Created 5 more system tests for checking the optimisation of single sets of Korzhnev et al., 2005 data.

These are Relax_disp.test_korzhnev_2005_15n_dq_data, Relax_disp.test_korzhnev_2005_15n_mq_data,
Relax_disp.test_korzhnev_2005_15n_zq_data, Relax_disp.test_korzhnev_2005_1h_mq_data, and
Relax_disp.test_korzhnev_2005_1h_sq_data. These should individually test out all parts of the
'MMQ 2-site' dispersion model.

2013-11-19 10:46:02 Tree
[r21516] by bugman

Updated the cpmg_fit results for the Korzhnev et al., 2005 single data sets.

The starting point for optimisation is now the solution for using all data together. This allows a
much better solution to be found for each script.

2013-11-19 10:19:13 Tree
[r21515] by bugman

Added cmpg_fit input and results files for all single CPMG data combinations from Korzhnev et al., 2005.

2013-11-19 09:46:34 Tree
[r21514] by bugman

Added cmpg_fit input and results files for the 15N SQ CPMG data from Korzhnev et al., 2005.

2013-11-19 09:34:14 Tree
[r21513] by bugman

Big redesign of the dispersion point returning and loop_*() functions.

These are the functions in the specific_analyses.relax_disp.disp_data module. The
return_cpmg_frqs() and return_spin_lock_nu1() functions now no longer take the spins and spin_ids
arguments. Instead they determine if a dispersion point exists for the given experiment and
spectrometer frequency using the intensity keys and data in the base of the data pipe.

The specific_analyses.relax_disp.disp_data.loop_*() functions now accept the return_indices argument
which if True will cause all of the relevant experiment type, spectrometer frequency, dispersion
point, and relaxation time indices to be returned.

The behaviour of the loop_point() method is now different. Instead of looping over all possible
dispersion points, it only loops over those points present for the given experiment and spectrometer
frequency. This change allows for many simplifications and latent bug fixes in the dispersion
analysis.

2013-11-19 09:31:09 Tree
[r21512] by bugman

Fixes for the dispersion optimisation Disp_result_command.run() method.

The dispersion point loop is fixed over all dispersion points, but the 'missing' data structure has
a variable length.

2013-11-19 07:38:46 Tree
[r21511] by bugman

Created the Relax_disp.test_korzhnev_2005_15N_sq_data system test.

This is used to check the optimisation of the 15N SQ CPMG data using the 'MMQ 2-site' model.

2013-11-19 07:35:24 Tree
[r21510] by bugman

Removed some debugging printouts.

2013-11-19 07:05:31 Tree
[r21509] by bugman

Added a relax script to optimise just the 15N SQ CPMG data from Korzhnev et al., 2005.

The corresponding log file has also been added to the repository.

2013-11-18 21:51:14 Tree
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