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Posted by tlinnet on September 02, 2014 - 15:29:
Author: tlinnet
Date: Tue Sep  2 15:29:08 2014
New Revision: 25551

URL: http://svn.gna.org/viewcvs/relax?rev=25551&view=rev
Log:
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.

Added:
    
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/
    
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/CPMG_599.9_1_N.txt
    
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/cpmg_synthetic.py
    
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/disp_1_N.agr
    
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/final_results.bz2
    
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/final_results_mc_strip.cp
    
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/final_state_mc_strip_data.py
    
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/grace2images.py
   (with props)

[This mail would be too long, it was shortened to contain the URLs only.]

Added: 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/CPMG_599.9_1_N.txt
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/CPMG_599.9_1_N.txt?rev=25551&view=auto

Added: 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/cpmg_synthetic.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/cpmg_synthetic.py?rev=25551&view=auto

Added: 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/disp_1_N.agr
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/disp_1_N.agr?rev=25551&view=auto

Added: 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/final_results.bz2
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/final_results.bz2?rev=25551&view=auto

Added: 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/final_results_mc_strip.cp
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/final_results_mc_strip.cp?rev=25551&view=auto

Added: 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/final_state_mc_strip_data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/final_state_mc_strip_data.py?rev=25551&view=auto

Added: 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/grace2images.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/grace2images.py?rev=25551&view=auto




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