relax / SVN archive Commit Log

Commit	Date
[r24997] by tlinnet Added more models to be tested in sytemtest Relax_disp.test_r1rho_kjaergaard_auto. bug #22461(https://gna.org/bugs/index.php?22461): NS R1rho 2-site_fit_r1 has extremely high chi2 value in systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.	2014-08-12 09:28:47	Tree
[r24996] by tlinnet Added unit test, to test the expected sorting of models for auto analyses. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.	2014-08-12 08:55:04	Tree
[r24995] by tlinnet Added function to sort models before auto analyses. They are sorted in order: exp_type: EXP_TYPE_R2EFF, EXP_TYPE_NOREX, EXP_TYPE_NOREX_R1RHO, EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_MMQ, EXP_TYPE_R1RHO equation: EQ_SILICO, EQ_ANALYTIC, EQ_NUMERIC Nr of chemical sites: 2 or 3 Year: Newest models first. Nr of params: sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.	2014-08-12 08:55:03	Tree
[r24994] by tlinnet Improved the printing of systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.	2014-08-12 08:55:01	Tree
[r24993] by tlinnet Improved the printing of systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.	2014-08-12 08:54:59	Tree
[r24992] by tlinnet Removed unused import of models in auto analyses of relax_disp. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.	2014-08-12 08:54:57	Tree
[r24991] by tlinnet Improved the printing when nesting parameters from equivalent models. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.	2014-08-12 08:54:54	Tree
[r24990] by tlinnet Replaced the test, if acquiring the model info to a numerical model from a analytical model. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.	2014-08-12 08:54:52	Tree
[r24989] by tlinnet Added a retur from the nesting model, if all fails. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.	2014-08-12 08:54:50	Tree
[r24988] by tlinnet Fix for nesting kex, when model is CR72, and analysed models is IT99. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.	2014-08-12 08:54:49	Tree

[r24997] by tlinnet

Added more models to be tested in sytemtest Relax_disp.test_r1rho_kjaergaard_auto.

bug #22461(https://gna.org/bugs/index.php?22461): NS R1rho 2-site_fit_r1 has extremely high chi2 value in systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

2014-08-12 09:28:47

Tree

[r24996] by tlinnet

Added unit test, to test the expected sorting of models for auto analyses.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

2014-08-12 08:55:04

Tree

[r24995] by tlinnet

Added function to sort models before auto analyses.

They are sorted in order:

exp_type: EXP_TYPE_R2EFF, EXP_TYPE_NOREX, EXP_TYPE_NOREX_R1RHO, EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_MMQ, EXP_TYPE_R1RHO
equation: EQ_SILICO, EQ_ANALYTIC, EQ_NUMERIC
Nr of chemical sites: 2 or 3
Year: Newest models first.
Nr of params:

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

2014-08-12 08:55:03

Tree

[r24994] by tlinnet

Improved the printing of systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

2014-08-12 08:55:01

Tree

[r24993] by tlinnet

Improved the printing of systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

2014-08-12 08:54:59

Tree

[r24992] by tlinnet

Removed unused import of models in auto analyses of relax_disp.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

2014-08-12 08:54:57

Tree

[r24991] by tlinnet

Improved the printing when nesting parameters from equivalent models.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

2014-08-12 08:54:54

Tree

[r24990] by tlinnet

Replaced the test, if acquiring the model info to a numerical model from a analytical model.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

2014-08-12 08:54:52

Tree

[r24989] by tlinnet

Added a retur from the nesting model, if all fails.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

2014-08-12 08:54:50

Tree

[r24988] by tlinnet

Fix for nesting kex, when model is CR72, and analysed models is IT99.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

2014-08-12 08:54:49

Tree

relax SVN archive

Molecular dynamics by NMR data analysis

SVN archive Commit Log