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Changes
Changed the dauvergne_protocol LST tags.
* Fixes for the backend of the [http://www.nmr-relax.com/manual/relax_disp_plot_exp_curves.html relax_disp.plot_exp_curves user function]. This code needed to be updated for the major changes in the relax_disp branch.
* Fixes for the checks in the Relax_disp.test_exp_fit system test. The r2eff and i0 spin data structure keys are now strings.
* Two class variables have been added to the dispersion auto-analysis for fast optimisation. This includes variables for the function tolerance and maximum number of iterations, and matches those of the model-free auto-analysis of the dauvergne_protocol module[d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 20082008b]. These will be used to speed up the test suite.
* Speed up of the system tests using Flemming Hansen's CPMG data. The grid search increments, function tolerance and maximum number of iterations have all been made looser.
* Added parameter checks to the Relax_disp.test_hansen_cpmg_data_LM63 system test.
* [*d'Auvergne and Gooley 2006] d'Auvergne, E. J. and Gooley, P. R. (2006). Model-free model elimination: A new step in the model-free dynamic analysis of NMR relaxation data. ''J. Biomol. NMR'', '''35'''(2), 117-135. (DOI [http://dx.doi.org/10.1007/s10858-006-9007-z 10.1007/s10858-006-9007-z]).
* [*d'Auvergne and Gooley, 2007] d'Auvergne, E. J. and Gooley, P. R. (2007). Set theory formulation of the model-free problem and the diffusion seeded model-free paradigm. ''Mol. BioSyst.'', '''3'''(7), 483–494. (DOI: [http://dx.doi.org/10.1039/b702202f 10.1039/b702202f).
* [*d'Auvergne and Gooley, 20082008b] d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. ''J. Biomol. NMR'', '''40'''(2), 121-133. (DOI: [http://dx.doi.org/10.1007/s10858-007-9213-3 10.1007/s10858-007-9213-3]).
* [*Davis et al., 1994] Davis, D. G., Perlman, M. E., and London, R. E. (1994). Direct measurements of the dissociation-rate constant for inhibitor-enzyme complexes via the T1rho and T2 (CPMG) methods. ''J. Magn. Reson.'', '''104'''(3), 266-275. (DOI [http://dx.doi.org/10.1006/jmrb.1994.1084 10.1006/jmrb.1994.1084]).
* [*Ishima and Torchia 1999] Ishima, R. and Torchia, D. A. (2005). Error estimation and global fitting in transverse-relaxation dispersion experiments to determine chemical-exchange parameters. ''J. Biomol. NMR'', '''32'''(1), 41-54. (DOI [http://dx.doi.org/10.1007/s10858-005-3593-z 10.1007/s10858-005-3593-z]).