Commit | Date | |
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[r22949]
by
tlinnet
Changed the default value of pA=0.99 and kex=1000. When doing a grid search in the auto-analysis, one can set "None". pA is best to start at 0.99, than 0.95. |
2014-05-04 18:45:05 | Tree |
[r22948]
by
tlinnet
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: |
2014-05-04 12:49:31 | Tree |
[r22947]
by
tlinnet
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: |
2014-05-04 12:49:29 | Tree |
[r22946]
by
tlinnet
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. |
2014-05-04 12:49:27 | Tree |
[r22945]
by
tlinnet
Changed the default value of pA=0.95. pA='The population for state A'. pA is best to start at 0.95, than 0.5. |
2014-05-04 12:49:25 | Tree |
[r22944]
by
tlinnet
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: This was not essential anywaÂy. This follows the tutorial for adding relaxation dispersion models at: |
2014-05-04 12:49:23 | Tree |
[r22943]
by
bugman
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 |
2014-05-04 11:39:40 | Tree |
[r22942]
by
tlinnet
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: This proves that the model is correctly implemented, and return same data which the The B14 model is explained in: http://wiki.nmr-relax.com/B14. |
2014-05-03 19:35:13 | Tree |
[r22941]
by
tlinnet
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: The B14 model is explained in: http://wiki.nmr-relax.com/B14. |
2014-05-03 19:35:11 | Tree |
[r22940]
by
tlinnet
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: 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 The B14 model is explained in: http://wiki.nmr-relax.com/B14. |
2014-05-03 19:35:09 | Tree |