Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.75245 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 8.19635 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 0.94383 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.67070 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 37.17526 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 -17.56729 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 5.01357 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 12.55372 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.75245 8.19635 0.94383 28.67070 37.17526 -17.56729 5.01357 value: 3.05376365802169 0.125000000000000 5.155964679149063E-004 f,g S 3.05376366 0.00051560 f,g F 3.05375844 0.00051560 D1, D2, P, A, A/P, sn, gs, a, d : 1.04793E-05 -5.23964E-06 5.23964E-06 5.21873E-06 9.96008E-01 1.22065E-01 -1.04793E-05 9.96024E-01 1.22065E-01 f,g G 3.05375844 0.00000431 f,g F 3.05375844 0.00000431 D1, D2, P, A, A/P, sn, gs, a, d : 5.62369E-10 -2.81184E-10 2.81184E-10 2.81203E-10 1.00006E+00 1.20338E-03 -5.62369E-10 1.00006E+00 1.22065E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.05375843901150 nfev, nfghev: 2 2 Final value: 3.053758 After optimisation: 1 1.00000E-04 1.67668E+01 9.99900E+03 9.54877E-07 2 0.00000E+00 8.15859E+00 9.99000E+02 -1.35521E-06 3 1.00000E-04 9.43352E-01 9.99000E+02 3.97380E-06 4 0.00000E+00 2.86768E+01 9.99000E+02 5.28572E-08 5 0.00000E+00 3.72883E+01 9.99000E+02 -1.24863E-08 6 -9.99000E+02 -1.75817E+01 9.99000E+02 -3.08550E-08 7 -9.99000E+02 5.01929E+00 9.99000E+02 -4.85773E-09 nvar, nfree, nbind: 7 7 0 Final model : 3.053758 2.78E-10 3 1 Laue 16.76676 1 0.00010 9999.00000 1 1 K_over T 16.75245 0.05461 8.15859 1 0.00000 999.00000 2 2 B_frag_imp T 8.19635 0.15327 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 0.94335 1 0.00010 999.00000 6 3 K_solv T 0.94383 0.01726 28.67677 1 0.00000 999.00000 7 4 B_solv T 28.67070 3.15923 1.0 -1 1.0 1.0 0 K_solv_imp F 37.28827 1 0.00000 999.00000 8 5 B_solv_imp T 37.17526 2.31425 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.58173 1 -999.00000 999.00000 10 6 B11_over T -17.56729 0.27085 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.01929 1 -999.00000 999.00000 12 7 B22_over T 5.01357 0.26337 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 12.56244 -1 -999.00000 999.00000 15 B33_over F 12.55372 0.00000