Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.81775 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 8.02882 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 0.94155 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.63720 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 37.78005 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 -17.61647 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 5.04334 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 12.57313 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.81775 8.02882 0.94155 28.63720 37.78005 -17.61647 5.04334 value: 3.04813463816223 0.125000000000000 6.302066859744325E-004 f,g S 3.04813464 0.00063021 f,g F 3.04812818 0.00063021 D1, D2, P, A, A/P, sn, gs, a, d : 1.29499E-05 -6.47493E-06 6.47493E-06 6.46065E-06 9.97795E-01 1.74133E-01 -1.29499E-05 9.97800E-01 1.25000E-01 f,g G 3.04812818 0.00000378 f,g F 3.04812818 0.00000378 D1, D2, P, A, A/P, sn, gs, a, d : 3.37312E-10 -1.68656E-10 1.68656E-10 1.68671E-10 1.00009E+00 1.07822E-03 -3.37312E-10 1.00009E+00 1.73750E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.04812817734569 nfev, nfghev: 2 2 Final value: 3.048128 After optimisation: 1 1.00000E-04 1.68379E+01 9.99900E+03 7.73574E-07 2 0.00000E+00 8.00165E+00 9.99000E+02 -1.05931E-06 3 1.00000E-04 9.41348E-01 9.99000E+02 3.53982E-06 4 0.00000E+00 2.86409E+01 9.99000E+02 4.51724E-08 5 0.00000E+00 3.79501E+01 9.99000E+02 -7.18839E-09 6 -9.99000E+02 -1.76206E+01 9.99000E+02 1.11593E-08 7 -9.99000E+02 5.04727E+00 9.99000E+02 7.16438E-09 nvar, nfree, nbind: 7 7 0 Final model : 3.048128 1.51E-10 3 1 Laue 16.83787 1 0.00010 9999.00000 1 1 K_over T 16.81775 0.05448 8.00165 1 0.00000 999.00000 2 2 B_frag_imp T 8.02882 0.15070 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 0.94135 1 0.00010 999.00000 6 3 K_solv T 0.94155 0.01737 28.64091 1 0.00000 999.00000 7 4 B_solv T 28.63720 3.15014 1.0 -1 1.0 1.0 0 K_solv_imp F 37.95006 1 0.00000 999.00000 8 5 B_solv_imp T 37.78005 2.30724 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.62057 1 -999.00000 999.00000 10 6 B11_over T -17.61647 0.26859 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.04727 1 -999.00000 999.00000 12 7 B22_over T 5.04334 0.26122 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 12.57330 -1 -999.00000 999.00000 15 B33_over F 12.57313 0.00000