Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.09254 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.62501 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 0.92675 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 31.44499 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 43.13076 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 -17.61430 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 4.94695 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 12.66735 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.09254 4.62501 0.92675 31.44499 43.13076 -17.61430 4.94695 value: 2.92436511347240 0.125000000000000 1.473233091956096E-004 f,g S 2.92436511 0.00014732 f,g F 2.92436484 0.00014732 D1, D2, P, A, A/P, sn, gs, a, d : 5.51766E-07 -2.75883E-07 2.75883E-07 2.75741E-07 9.99485E-01 4.81678E-02 -5.51766E-07 9.99485E-01 4.81678E-02 f,g G 2.92436484 0.00000027 f,g F 2.92436484 0.00000027 D1, D2, P, A, A/P, sn, gs, a, d : 1.20343E-12 -6.01713E-13 6.01713E-13 5.90195E-13 9.80857E-01 2.82578E-04 -1.20343E-12 9.81217E-01 4.81678E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.92436483773093 nfev, nfghev: 2 2 Final value: 2.924365 After optimisation: 1 1.00000E-04 1.70961E+01 9.99900E+03 4.49094E-08 2 0.00000E+00 4.62071E+00 9.99000E+02 -8.57713E-08 3 1.00000E-04 9.26803E-01 9.99000E+02 2.50379E-07 4 0.00000E+00 3.14188E+01 9.99000E+02 4.22521E-09 5 0.00000E+00 4.31707E+01 9.99000E+02 -3.91527E-10 6 -9.99000E+02 -1.76184E+01 9.99000E+02 -1.85404E-09 7 -9.99000E+02 4.94993E+00 9.99000E+02 1.12069E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.924365 9.64E-13 3 1 Laue 17.09610 1 0.00010 9999.00000 1 1 K_over T 17.09254 0.04527 4.62071 1 0.00000 999.00000 2 2 B_frag_imp T 4.62501 0.09274 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 0.92680 1 0.00010 999.00000 6 3 K_solv T 0.92675 0.01613 31.41880 1 0.00000 999.00000 7 4 B_solv T 31.44499 2.89473 1.0 -1 1.0 1.0 0 K_solv_imp F 43.17073 1 0.00000 999.00000 8 5 B_solv_imp T 43.13076 2.00958 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.61836 1 -999.00000 999.00000 10 6 B11_over T -17.61430 0.22978 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.94993 1 -999.00000 999.00000 12 7 B22_over T 4.94695 0.22234 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 12.66843 -1 -999.00000 999.00000 15 B33_over F 12.66735 0.00000