mailr25492 - /trunk/test_suite/system_tests/relax_disp.py


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Posted by tlinnet on August 31, 2014 - 23:46:
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.




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