Author: tlinnet Date: Tue Sep 2 18:21:08 2014 New Revision: 25563 URL: http://svn.gna.org/viewcvs/relax?rev=25563&view=rev Log: Modified for systemtest with BFGS.
Data was created with simplex, minimies with simplex but MonteÃÃÃ-Carlo simulations was with BFGS. The error estimation is still the same. So this tells, that minimisation is wrong in relax with BFGS. Either minfx suffer, or my setup of the chi2 derivative suffers. With simplex param: r2a_err, with err: 0.48131663, compared to 2000 MC: 0.49354342, with 200 boot 0.43066033 param: dw_err, with err: 0.30874093, compared to 2000 MC: 0.32813703, with 200 boot 0.30946606 param: k_AB_err, with err: 0.64606994, compared to 2000 MC: 0.65384783, with 200 boot 0.62079033 With BFGS param: r2a_err, with err: 0.47885323, compared to 2000 MC: 0.12582452, with 200 boot 0.41553408 param: dw_err, with err: 0.30068501, compared to 2000 MC: 0.07477556, with 200 boot 0.00507689 param: k_AB_err, with err: 0.64694369, compared to 2000 MC: 0.40271214, with 200 boot 0.64937810 task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models. Modified: 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.bz2 branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/final_results_mc_strip.cp [This mail would be too long, it was shortened to contain the URLs only.] Modified: 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=25563&r1=25562&r2=25563&view=diff Modified: 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=25563&r1=25562&r2=25563&view=diff Modified: 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=25563&r1=25562&r2=25563&view=diff Modified: 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=25563&r1=25562&r2=25563&view=diff Modified: branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/BFGS/final_results_mc_strip.bz2 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.bz2?rev=25563&r1=25562&r2=25563&view=diff Modified: 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=25563&r1=25562&r2=25563&view=diff _______________________________________________ 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
