Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.85452 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.63208 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 0.91630 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 31.68748 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 40.97252 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 -17.93423 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 5.00217 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 12.93206 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.85452 3.63208 0.91630 31.68748 40.97252 -17.93423 5.00217 value: 2.87906049330435 0.125000000000000 1.956185343748501E-004 f,g S 2.87906049 0.00019562 f,g F 2.87905998 0.00019562 D1, D2, P, A, A/P, sn, gs, a, d : 1.03219E-06 -5.16097E-07 5.16097E-07 5.16312E-07 1.00042E+00 2.80063E-02 -1.03219E-06 1.00042E+00 2.80063E-02 f,g G 2.87905998 0.00000019 f,g F 2.87905998 0.00000019 D1, D2, P, A, A/P, sn, gs, a, d : 1.03081E-12 -5.15403E-13 5.15403E-13 5.01377E-13 9.72786E-01 4.46543E-05 -1.03081E-12 9.73507E-01 2.80180E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.87905997699210 nfev, nfghev: 2 2 Final value: 2.879060 After optimisation: 1 1.00000E-04 1.68599E+01 9.99900E+03 -8.06463E-08 2 0.00000E+00 3.63403E+00 9.99000E+02 -1.02578E-07 3 1.00000E-04 9.16489E-01 9.99000E+02 1.35656E-07 4 0.00000E+00 3.16820E+01 9.99000E+02 1.36793E-09 5 0.00000E+00 4.09994E+01 9.99000E+02 -1.15741E-09 6 -9.99000E+02 -1.79354E+01 9.99000E+02 -6.42491E-10 7 -9.99000E+02 5.00152E+00 9.99000E+02 -5.28044E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.879060 5.96E-13 3 1 Laue 16.85990 1 0.00010 9999.00000 1 1 K_over T 16.85452 0.04166 3.63403 1 0.00000 999.00000 2 2 B_frag_imp T 3.63208 0.07661 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 0.91649 1 0.00010 999.00000 6 3 K_solv T 0.91630 0.01535 31.68204 1 0.00000 999.00000 7 4 B_solv T 31.68748 2.73062 1.0 -1 1.0 1.0 0 K_solv_imp F 40.99941 1 0.00000 999.00000 8 5 B_solv_imp T 40.97252 1.80927 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.93537 1 -999.00000 999.00000 10 6 B11_over T -17.93423 0.21669 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.00152 1 -999.00000 999.00000 12 7 B22_over T 5.00217 0.20942 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 12.93386 -1 -999.00000 999.00000 15 B33_over F 12.93206 0.00000