Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.33982 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 15.66681 0.00000 0.0 1.0 0.0 0.0 0.0 0.0 0.0 3 1.00000 1.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6 0.94729 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.89414 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 21.83491 0.00000 0.0 0.0 0.0 0.0 1.0 0.0 0.0 9 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10 -18.48582 0.00000 0.0 0.0 0.0 0.0 0.0 1.0 0.0 11 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12 5.77490 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 1.0 13 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15 12.71092 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.33982 15.66681 0.94729 27.89414 21.83491 -18.48582 5.77490 value: 3.20122323941336 0.125000000000000 1.052837343032956E-003 f,g S 3.20122324 0.00105284 f,g F 3.20120646 0.00105284 D1, D2, P, A, A/P, sn, gs, a, d : 3.36716E-05 -1.68358E-05 1.68358E-05 1.67833E-05 9.96879E-01 4.72554E-01 -3.36716E-05 9.96889E-01 1.25000E-01 f,g G 3.20120646 0.00000228 f,g F 3.20120645 0.00000228 D1, D2, P, A, A/P, sn, gs, a, d : 2.48688E-09 -1.24344E-09 1.24344E-09 1.24361E-09 1.00014E+00 3.70828E-03 -2.48688E-09 1.00014E+00 4.71084E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.20120645490870 nfev, nfghev: 2 2 Final value: 3.201206 After optimisation: 1 1.00000E-04 1.73794E+01 9.99900E+03 1.33696E-06 2 0.00000E+00 1.55842E+01 9.99000E+02 -1.44173E-06 3 1.00000E-04 9.49023E-01 9.99000E+02 1.14844E-06 4 0.00000E+00 2.78228E+01 9.99000E+02 4.30577E-08 5 0.00000E+00 2.22890E+01 9.99000E+02 -3.98217E-08 6 -9.99000E+02 -1.84640E+01 9.99000E+02 9.06459E-08 7 -9.99000E+02 5.75693E+00 9.99000E+02 -3.56631E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.201206 1.13E-09 3 1 Laue 17.37941 1 0.00010 9999.00000 1 1 K_over T 17.33982 0.06669 15.58416 1 0.00000 999.00000 2 2 B_frag_imp T 15.66681 0.28395 1.00000 -1 0.00010 999.00000 3 K_rand F 1.00000 0.00000 0.00000 -1 -999.00000 999.00000 4 B_rand F 0.00000 0.00000 1.0 -1 1.0 1.0 0 K_rand_imp F 0.00000 -1 0.00000 999.00000 5 B_rand_imp F 0.00000 0.00000 0.94902 1 0.00010 999.00000 6 3 K_solv T 0.94729 0.01826 27.82277 1 0.00000 999.00000 7 4 B_solv T 27.89414 3.62308 1.0 -1 1.0 1.0 0 K_solv_imp F 22.28901 1 0.00000 999.00000 8 5 B_solv_imp T 21.83491 2.91444 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -18.46399 1 -999.00000 999.00000 10 6 B11_over T -18.48582 0.31634 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.75693 1 -999.00000 999.00000 12 7 B22_over T 5.77490 0.30969 0.00000 -1 -999.00000 999.00000 13 B13_over F 0.00000 0.00000 0.00000 -1 -999.00000 999.00000 14 B23_over F 0.00000 0.00000 12.70705 -1 -999.00000 999.00000 15 B33_over F 12.71092 0.00000