relax SVN archive

Added the synthetic N15 data for systemtest Relax_disp.test_baldwin_synthetic.

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales.

This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging

Extendended systemtest Relax_disp.test_baldwin_synthetic to also include a N15 synthetic dataset.

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales.

This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging

Fix for bug, taking the median if there is more than 0 value in the list.

bug #22010 (https://gna.org/bugs/index.php?22010): relax_disp.parameter_copy return a list of pA, if copying only for one spin.

Changed the default value of pA=0.95.

pA='The population for state A'.
When doing a grid search in the auto-analysis, one can set "None".
This will then use default values specified for parameters, instead of a grid search.

pA is best to start at 0.95, than 0.5.

Removed model B14 to the list of MODEL_LIST_NUMERIC_CPMG.

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales.

"This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax"

This was not essential anywaÂy.
Currently, I can't reproduce the bug.?

This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging

Renamed the relax_disp.cpmg_frq user function to relax_disp.cpmg_setup and added some new options.

This follows from the thread http://thread.gmane.org/gmane.science.nmr.relax.devel/5511/focus=5520.

The ncyc_even option has been added so the user can specify if the pulse sequence requires an even
number of CPMG blocks. This is for use in the interpolated dispersion curves, but could have other
uses in the future.

Implemented systemtest "relax -s Relax_disp.test_baldwin_synthetic -d" for model B14.

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales.

"This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging "

This proves that the model is correctly implemented, and return same data which the
Baldwin script created.

The B14 model is explained in: http://wiki.nmr-relax.com/B14.

Correctly implemented the target function for model B14.

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales.

"This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_target_function "

The B14 model is explained in: http://wiki.nmr-relax.com/B14.

Implemented model B14 in the relax library.

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales.

This follows the tutorial for adding relaxation dispersion models at:
Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_relax_library

The code is raw implemented, with no optimisation.

This is merely to test, that the spin parameters that created R2eff data, can be found again after
grid searh and minimisation.

The B14 model is explained in: http://wiki.nmr-relax.com/B14.

Letting the error be 0.1 in the systemtest for B14.

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales.

"This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax"

This is just cosmetics, to make the dispersion graph look more beautiful.

The B14 model is explained in: http://wiki.nmr-relax.com/B14.