Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.16136 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.93669 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 0.91072 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 33.00947 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 39.05300 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 -17.92234 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 5.04048 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 12.88186 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.16136 3.93669 0.91072 33.00947 39.05300 -17.92234 5.04048 value: 2.88201678362825 0.125000000000000 1.801155383445294E-006 f,g S 2.88201678 0.00000180 f,g F 2.88201678 0.00000180 D1, D2, P, A, A/P, sn, gs, a, d : 4.91399E-10 -2.45699E-10 2.45699E-10 2.45687E-10 9.99951E-01 5.69653E-03 -4.91399E-10 9.99951E-01 5.69653E-03 CONVERGENCE: FRTOL TEST SATISFIED value: 2.88201678338256 nfev, nfghev: 1 1 Final value: 2.882017 After optimisation: 1 1.00000E-04 1.71613E+01 9.99900E+03 7.30238E-07 2 0.00000E+00 3.93664E+00 9.99000E+02 1.61106E-06 3 1.00000E-04 9.10698E-01 9.99000E+02 2.82109E-08 4 0.00000E+00 3.30142E+01 9.99000E+02 -3.37018E-08 5 0.00000E+00 3.90499E+01 9.99000E+02 4.64255E-08 6 -9.99000E+02 -1.79224E+01 9.99000E+02 1.82359E-07 7 -9.99000E+02 5.04030E+00 9.99000E+02 2.79372E-07 nvar, nfree, nbind: 7 7 0 Final model : 2.882017 2.38E-10 3 1 Laue 17.16129 1 0.00010 9999.00000 1 1 K_over T 17.16136 0.04234 3.93664 1 0.00000 999.00000 2 2 B_frag_imp T 3.93669 0.07882 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 0.91070 1 0.00010 999.00000 6 3 K_solv T 0.91072 0.01546 33.01424 1 0.00000 999.00000 7 4 B_solv T 33.00947 2.73899 1.0 -1 1.0 1.0 0 K_solv_imp F 39.04989 1 0.00000 999.00000 8 5 B_solv_imp T 39.05300 1.79791 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.92237 1 -999.00000 999.00000 10 6 B11_over T -17.92234 0.21858 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.04030 1 -999.00000 999.00000 12 7 B22_over T 5.04048 0.21156 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 12.88207 -1 -999.00000 999.00000 15 B33_over F 12.88186 0.00000