Author: tlinnet Date: Sun Aug 31 23:46:40 2014 New Revision: 25492 URL: http://svn.gna.org/viewcvs/relax?rev=25492&view=rev Log: Comment fix to systemtest Relax_disp.test_estimate_r2eff_err_methods, after the found of bug in relax.
task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting. bug #22554(https://gna.org/bugs/index.php?22554): The distribution of intensity with errors in Monte-Carlo simulations are markedly more narrow than expected. Modified: trunk/test_suite/system_tests/relax_disp.py Modified: trunk/test_suite/system_tests/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=25492&r1=25491&r2=25492&view=diff ============================================================================== --- trunk/test_suite/system_tests/relax_disp.py (original) +++ trunk/test_suite/system_tests/relax_disp.py Sun Aug 31 23:46:40 2014 @@ -3109,6 +3109,11 @@ This uses the data from Kjaergaard's paper at U{DOI: 10.1021/bi4001062<http://dx.doi.org/10.1021/bi4001062>}. Optimisation of the Kjaergaard et al., 2013 Off-resonance R1rho relaxation dispersion experiments using the 'DPL' model. + + NOTE: The difference in the methods was due to a bug in relax! + U{bug #22554<https://gna.org/bugs/index.php?22554>}. The distribution of intensity with errors in Monte-Carlo simulations are markedly more narrow than expected. + + This dataset is old, and includes 2000 Monte-Carlo simulations, which is performed wrong. """ # Define data path. @@ -3129,7 +3134,7 @@ if do_boot: min_algor = 'Newton' min_options = () - sim_boot = 2000 + sim_boot = 200 scaling_list = [1.0, 1.0] # First check sim values. _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits
