Details of MaxLik refinement

Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.73456 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.62398 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 0.90278 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 33.57776 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 36.68779 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 -17.95109 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 4.99700 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 12.95409 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.73456 3.62398 0.90278 33.57776 36.68779 -17.95109 4.99700 value: 2.87516754018540 0.125000000000000 9.416189659234511E-006 f,g S 2.87516754 0.00000942 f,g F 2.87516754 0.00000942 D1, D2, P, A, A/P, sn, gs, a, d : 2.46198E-09 -1.23099E-09 1.23099E-09 1.23096E-09 9.99980E-01 3.44863E-03 -2.46198E-09 9.99980E-01 3.44863E-03 CONVERGENCE: FRTOL TEST SATISFIED value: 2.87516753895443 nfev, nfghev: 1 1 Final value: 2.875168 After optimisation: 1 1.00000E-04 1.67348E+01 9.99900E+03 -8.70456E-06 2 0.00000E+00 3.62375E+00 9.99000E+02 3.44663E-06 3 1.00000E-04 9.02774E-01 9.99000E+02 -9.91831E-07 4 0.00000E+00 3.35762E+01 9.99000E+02 -9.65112E-08 5 0.00000E+00 3.66908E+01 9.99000E+02 2.75075E-08 6 -9.99000E+02 -1.79511E+01 9.99000E+02 -1.41105E-07 7 -9.99000E+02 4.99704E+00 9.99000E+02 -4.79774E-08 nvar, nfree, nbind: 7 7 0 Final model : 2.875168 1.49E-09 3 1 Laue 16.73478 1 0.00010 9999.00000 1 1 K_over T 16.73456 0.04078 3.62375 1 0.00000 999.00000 2 2 B_frag_imp T 3.62398 0.07395 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 0.90277 1 0.00010 999.00000 6 3 K_solv T 0.90278 0.01559 33.57616 1 0.00000 999.00000 7 4 B_solv T 33.57776 2.72887 1.0 -1 1.0 1.0 0 K_solv_imp F 36.69082 1 0.00000 999.00000 8 5 B_solv_imp T 36.68779 1.67956 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.95107 1 -999.00000 999.00000 10 6 B11_over T -17.95109 0.21619 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.99704 1 -999.00000 999.00000 12 7 B22_over T 4.99700 0.20894 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 12.95403 -1 -999.00000 999.00000 15 B33_over F 12.95409 0.00000