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[r23077] by bugman

Added the B14 dispersion models to http://www.nmr-relax.com/analyses/relaxation_dispersion.html.

2014-05-08 12:24:04 Tree
[r23076] by tlinnet

Made systemtest Relax_disp.test_cpmg_synthetic_dx_map_points to start testing.

Modified also sample CPMG script to allow for this.

task #7791: (https://gna.org/task/index.php?7791 ) the dx.map should accept a list of list with values for points.

2014-05-08 10:43:56 Tree
[r23075] by tlinnet

Fix for the file name writing of the point file.

bug #22023:(https://gna.org/bugs/?22023) relax dx.map produce .net files which makes error.

2014-05-08 00:44:18 Tree
[r23074] by tlinnet

Fix for script for the visualising the spin dynamics point which generated the data.

This is to the script, which can visualize the synthetic CPMG data.

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

2014-05-08 00:44:16 Tree
[r23073] by tlinnet

Added functionality of the visualising the spin dynamics point which generated the data.

This is to the script, which can visualize the synthetic CPMG data.

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

2014-05-07 23:55:07 Tree
[r23072] by tlinnet

Fix for tabular space and forgotten "\n" when writing dx.maps config files.

bug #22023:(https://gna.org/bugs/?22023) relax dx.map produce .net files which makes error.

2014-05-07 21:44:40 Tree
[r23071] by tlinnet

Small typo fix in generic CPMG script.

2014-05-07 21:35:59 Tree
[r23070] by tlinnet

Small improvement for generic CPMG data script file.

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

2014-05-07 21:35:57 Tree
[r23069] by tlinnet

Fixed systemtest Relax_disp.test_cpmg_synthetic_cr72 and Relax_disp.test_cpmg_synthetic_cr72_full_noise_cluster.

This was after change of the synthetic script.

2014-05-07 20:01:03 Tree
[r23068] by tlinnet

Changed script for synthetic CPMG data.

This is to test the fitting of CR72 and B14, when creating R2eff data with numerical model:
MODEL_NS_CPMG_2SITE_EXPANDED

This script is ideal for testing cases.
One can readily define experiments settings:
sfrq_X, time_T2_X, ncycs_X for simulating one or more spectrometer eksperiments.

Spins can readily be set up, to have different dynamics, like: r2, r2a, r2b, kex, pA and dw.
The script can test clustering, and can convert to Sherekhan and make a hyper-dimensinal dx map
to test Chi2 hypersurface on parameter settings.

It is also ideal for strees-testing relax, to see if its minimisation algorithm performs well.

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

2014-05-07 19:26:04 Tree
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