Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.82175 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.68172 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 0.90501 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 33.67138 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 36.73393 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 -17.95065 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 4.99132 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 12.95933 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.82175 3.68172 0.90501 33.67138 36.73393 -17.95065 4.99132 value: 2.87486749779054 0.125000000000000 2.139793920236321E-004 f,g S 2.87486750 0.00021398 f,g F 2.87486683 0.00021398 D1, D2, P, A, A/P, sn, gs, a, d : 1.33742E-06 -6.68712E-07 6.68712E-07 6.69178E-07 1.00070E+00 1.08289E-02 -1.33742E-06 1.00070E+00 1.08289E-02 f,g G 2.87486683 0.00000029 f,g F 2.87486683 0.00000029 D1, D2, P, A, A/P, sn, gs, a, d : 2.66784E-12 -1.33392E-12 1.33392E-12 1.34825E-12 1.01074E+00 3.05739E-05 -2.66784E-12 1.01086E+00 1.08364E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.87486682861125 nfev, nfghev: 2 2 Final value: 2.874867 After optimisation: 1 1.00000E-04 1.68276E+01 9.99900E+03 -1.41053E-07 2 0.00000E+00 3.68543E+00 9.99000E+02 -1.62176E-07 3 1.00000E-04 9.05159E-01 9.99000E+02 1.96871E-07 4 0.00000E+00 3.36770E+01 9.99000E+02 1.55668E-09 5 0.00000E+00 3.67401E+01 9.99000E+02 -1.70989E-09 6 -9.99000E+02 -1.79508E+01 9.99000E+02 -6.44783E-10 7 -9.99000E+02 4.99138E+00 9.99000E+02 5.15732E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.874867 1.54E-12 3 1 Laue 16.82760 1 0.00010 9999.00000 1 1 K_over T 16.82175 0.04092 3.68543 1 0.00000 999.00000 2 2 B_frag_imp T 3.68172 0.07428 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 0.90516 1 0.00010 999.00000 6 3 K_solv T 0.90501 0.01547 33.67700 1 0.00000 999.00000 7 4 B_solv T 33.67138 2.71597 1.0 -1 1.0 1.0 0 K_solv_imp F 36.74010 1 0.00000 999.00000 8 5 B_solv_imp T 36.73393 1.68618 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.95084 1 -999.00000 999.00000 10 6 B11_over T -17.95065 0.21639 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.99138 1 -999.00000 999.00000 12 7 B22_over T 4.99132 0.20916 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 12.95945 -1 -999.00000 999.00000 15 B33_over F 12.95933 0.00000