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Commit Date  
[r25463] by tlinnet

Fix for 'r1' not being added to parameters, when looking up model in dictionary.

bug #22541(https://gna.org/bugs/?22541): The R1 fit flag does not work in the GUI.

2014-08-29 22:00:45 Tree
[r25462] by tlinnet

Fix for systemtest test_estimate_r2eff_err and test_r1rho_kjaergaard_missing_r1, where r1_fit=True, needed to be send to Auto_analyses.

bug #22541(https://gna.org/bugs/?22541): The R1 fit flag does not work in the GUI.

2014-08-29 21:12:16 Tree
[r25461] by tlinnet

Added model DPL94, to be tested in gui-test Relax_disp.test_r2eff_err_estimate.

This shows that the bug is still there.

bug #22541(https://gna.org/bugs/?22541): The R1 fit flag does not work in the GUI.

2014-08-29 21:12:14 Tree
[r25460] by tlinnet

Clean-up in gui-test Relax_disp.test_r2eff_err_estimate.

This now passes after previous commit.

bug #22541(https://gna.org/bugs/?22541): The R1 fit flag does not work in the GUI.

2014-08-29 21:12:12 Tree
[r25459] by tlinnet

Fix for also storing 'r1_fit' to cdp even though it is set to False.

bug #22541(https://gna.org/bugs/?22541): The R1 fit flag does not work in the GUI.

2014-08-29 21:12:11 Tree
[r25458] by tlinnet

Improved systemtest test_bug_negative_intensities_cpmg, by counting number of R2eff points.

Spin 4, which has one negative intensity, is expected to have one less R2eff point.

This makes sure, that all CPMG data set can be loaded and analysed, even if some peaks are very weak
are fluctuating with error level.

2014-08-29 20:11:41 Tree
[r25457] by tlinnet

Added more print out information, when log(I / I_ref) is negative, and raising errors.

This can help the user track back information to the error more easily.

2014-08-29 20:11:40 Tree
[r25456] by tlinnet

Modified systemtest test_estimate_r2eff_err_methods, to check all Jacobian methods are correctly implemented.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

2014-08-29 19:52:24 Tree
[r25455] by tlinnet

Modified module to estimate R2eff errors, to use the C-code Jacobian.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

2014-08-29 19:52:22 Tree
[r25454] by bugman

Added a script and log for calculating the exponential curve parameter errors via bootstrapping.

This uses the data at http://thread.gmane.org/gmane.science.nmr.relax.devel/6807/focus=6840 and
calculates the parameter errors via bootstrapping. As the parameters at the minimum are the exact
parameter values, bootstrapping and Monte Carlo simulation converge and hence this is a true error
estimate. 200,000 simulations where used, so the parameter errors are extremely accurate.

2014-08-29 18:45:14 Tree
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