Details of MaxLik refinement
Calling alabaster 1 8 9 Calling optimiser: i var_all var_fixed constraint 1 18.65430 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2 18.42008 0.00000 0.0 1.0 0.0 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 0.0 4 0.00000 0.00000 0.0 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 0.0 6 1.04106 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 7 30.98133 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 8 25.64907 0.00000 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 9 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 10 -17.48894 0.00000 0.0 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 0.0 12 5.32576 0.00000 0.0 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 0.0 14 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15 12.16318 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 18.65430 18.42008 1.04106 30.98133 25.64907 0.00000 -17.48894 5.32576 value: 3.22328161310868 0.125000000000000 1.776339357110764E-002 f,g S 3.22328161 0.01776339 f,g F 3.20165693 0.01776339 D1, D2, P, A, A/P, sn, gs, a, d : 3.06928E-02 -7.97559E-03 2.27172E-02 2.16247E-02 9.51906E-01 8.48193E+00 -3.06928E-02 1.69234E+00 1.25000E-01 f,g G 3.20165693 0.00670879 f,g F 3.19739821 0.00670879 D1, D2, P, A, A/P, sn, gs, a, d : 8.33134E-03 -4.16567E-03 4.16567E-03 4.25873E-03 1.02234E+00 9.56269E+00 -8.33134E-03 1.02285E+00 5.00000E-01 f,g G 3.19739821 0.00043843 f,g F 3.19737399 0.00043843 D1, D2, P, A, A/P, sn, gs, a, d : 4.91565E-05 -2.45783E-05 2.45783E-05 2.42135E-05 9.85158E-01 2.65364E+00 -4.91565E-05 9.85375E-01 2.00000E+00 f,g G 3.19737399 0.00006330 f,g F 3.19737395 0.00006330 D1, D2, P, A, A/P, sn, gs, a, d : 7.99567E-08 -3.99783E-08 3.99783E-08 4.00502E-08 1.00180E+00 9.15447E-02 -7.99567E-08 1.00180E+00 2.61483E+00 f,g G 3.19737395 0.00000011 f,g F 3.19737395 0.00000011 D1, D2, P, A, A/P, sn, gs, a, d : 8.25770E-13 -4.12885E-13 4.12885E-13 4.27214E-13 1.03470E+00 5.11327E-04 -8.25770E-13 1.03595E+00 2.61483E+00 CONVERGENCE: FRTOL TEST SATISFIED value: 3.19737395322905 nfev, nfghev: 5 5 Final value: 3.197374 After optimisation: 1 1.00000E-04 1.65999E+01 9.99900E+03 -2.84691E-08 2 0.00000E+00 1.50864E+01 9.99000E+02 2.20189E-09 3 1.00000E-04 9.68236E-01 9.99000E+02 -1.06299E-07 4 0.00000E+00 1.82860E+01 9.99000E+02 -2.38845E-09 5 0.00000E+00 2.59617E+01 9.99000E+02 -7.14169E-10 6 -9.99000E+02 -9.13426E+00 9.99000E+02 1.16747E-08 7 -9.99000E+02 -1.76133E+01 9.99000E+02 -3.39215E-10 8 -9.99000E+02 5.38253E+00 9.99000E+02 1.57501E-11 nvar, nfree, nbind: 8 8 0 Final model : 3.197374 1.91E-12 3 1 Laue 16.59986 1 0.00010 9999.00000 1 1 K_over T 18.65430 0.16352 15.08638 1 0.00000 999.00000 2 2 B_frag_imp T 18.42008 0.28279 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 0.96824 1 0.00010 999.00000 6 3 K_solv T 1.04106 0.01842 18.28601 1 0.00000 999.00000 7 4 B_solv T 30.98133 3.92400 1.0 -1 1.0 1.0 0 K_solv_imp F 25.96171 1 0.00000 999.00000 8 5 B_solv_imp T 25.64907 3.37462 -9.13426 1 -999.00000 999.00000 9 6 B_over T 0.00000 0.41390 -17.61328 1 -999.00000 999.00000 10 7 B11_over T -17.48894 0.32035 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.38253 1 -999.00000 999.00000 12 8 B22_over T 5.32576 0.31163 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 12.23075 -1 -999.00000 999.00000 15 B33_over F 12.16318 0.00000