relax / SVN archive Commit Log

Commit	Date
[r25560] by bugman Loosened a value check to allow the Relax_disp.test_r1rho_kjaergaard_missing_r1 system test to pass. This test fails on MS Windows systems.	2014-09-02 16:00:11	Tree
[r25559] by tlinnet Fix for test data extracted from wrong path. task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models.	2014-09-02 15:52:10	Tree
[r25558] by tlinnet Added initial simulated dataset for CR72 with two. The problem is though, that I canÃ't write up the Jacobian. It is to advanced? task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models.	2014-09-02 15:52:04	Tree
[r25557] by tlinnet Implemented verify_estimate_par_err_compare_mc, as a general method to compare model parameter estimation, Monte-Carlo and boot strapping. A call to this function could be called from other systemtest, to see the difference. task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models.	2014-09-02 14:30:48	Tree
[r25556] by bugman Improvements for the spectrum.error_analysis button in the spectrum list GUI element. The subset argument is set to None if no spectra are selected.	2014-09-02 14:27:34	Tree
[r25555] by tlinnet Added systemtest to black-list, if they depend on C-code module.	2014-09-02 13:59:09	Tree
[r25554] by bugman Improvements for the spectrum.error_analysis button in the spectrum list GUI element. The user function is now launched as being modal so that the rest of the GUI freezes, and after the user function is executed the relax controller window is show and scrolled to the bottom.	2014-09-02 13:51:13	Tree
[r25553] by bugman Modified the behaviour of the spectrum.error_analysis button in the spectrum list GUI element. Now the subset argument of this user function will be pre-set to any spectra selected in the list.	2014-09-02 13:40:29	Tree
[r25552] by tlinnet Added path to other dataset with BFGS. task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models.	2014-09-02 13:29:10	Tree
[r25551] by tlinnet Added dataset which was produced with BFGS. This shows, that gradient calculation is either wrong in relax, or in minfx. This is only for minimisation. It is also easily to see on the graphs. param: r2a_err, with err: 0.70912495, compared to MC: 0.10395753, with 500 boot 0.66165472 param: dw_err, with err: 0.56449802, compared to MC: 0.03708529, with 500 boot 0.00703459 param: k_AB_err, with err: 0.77161279, compared to MC: 0.29434628, with 500 boot 0.79263287 task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models.	2014-09-02 13:29:08	Tree

[r25560] by bugman

Loosened a value check to allow the Relax_disp.test_r1rho_kjaergaard_missing_r1 system test to pass.

This test fails on MS Windows systems.

2014-09-02 16:00:11

[r25559] by tlinnet

Fix for test data extracted from wrong path.

task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models.

2014-09-02 15:52:10

Tree

[r25558] by tlinnet

Added initial simulated dataset for CR72 with two.

The problem is though, that I canÃ't write up the Jacobian.
It is to advanced?

task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models.

2014-09-02 15:52:04

Tree

[r25557] by tlinnet

Implemented verify_estimate_par_err_compare_mc, as a general method to compare model parameter estimation, Monte-Carlo and boot strapping.
A call to this function could be called from other systemtest, to see the difference.

task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models.

2014-09-02 14:30:48

Tree

[r25556] by bugman

Improvements for the spectrum.error_analysis button in the spectrum list GUI element.

The subset argument is set to None if no spectra are selected.

2014-09-02 14:27:34

Tree

[r25555] by tlinnet

Added systemtest to black-list, if they depend on C-code module.

2014-09-02 13:59:09

Tree

[r25554] by bugman

Improvements for the spectrum.error_analysis button in the spectrum list GUI element.

The user function is now launched as being modal so that the rest of the GUI freezes, and after the
user function is executed the relax controller window is show and scrolled to the bottom.

2014-09-02 13:51:13

Tree

[r25553] by bugman

Modified the behaviour of the spectrum.error_analysis button in the spectrum list GUI element.

Now the subset argument of this user function will be pre-set to any spectra selected in the list.

2014-09-02 13:40:29

Tree

[r25552] by tlinnet

Added path to other dataset with BFGS.

task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models.

2014-09-02 13:29:10

Tree

[r25551] by tlinnet

Added dataset which was produced with BFGS.

This shows, that gradient calculation is either wrong in relax, or in minfx.
This is only for minimisation.

It is also easily to see on the graphs.

param: r2a_err, with err: 0.70912495, compared to MC: 0.10395753, with 500 boot 0.66165472
param: dw_err, with err: 0.56449802, compared to MC: 0.03708529, with 500 boot 0.00703459
param: k_AB_err, with err: 0.77161279, compared to MC: 0.29434628, with 500 boot 0.79263287

task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models.

2014-09-02 13:29:08

Tree

relax SVN archive

Molecular dynamics by NMR data analysis

SVN archive Commit Log