Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.95149 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 14.04753 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 0.97033 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.53298 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 28.52819 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 -17.22379 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 5.09933 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 12.12445 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.95149 14.04753 0.97033 27.53298 28.52819 -17.22379 5.09933 value: 3.16771439560126 0.125000000000000 5.005843375343378E-004 f,g S 3.16771440 0.00050058 f,g F 3.16770844 0.00050058 D1, D2, P, A, A/P, sn, gs, a, d : 1.19569E-05 -5.97844E-06 5.97844E-06 5.95777E-06 9.96542E-01 1.51510E-01 -1.19569E-05 9.96554E-01 1.25000E-01 f,g G 3.16770844 0.00000261 f,g F 3.16770844 0.00000261 D1, D2, P, A, A/P, sn, gs, a, d : 5.85574E-10 -2.92787E-10 2.92787E-10 2.92811E-10 1.00008E+00 2.44084E-03 -5.85574E-10 1.00008E+00 1.50988E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.16770843753818 nfev, nfghev: 2 2 Final value: 3.167708 After optimisation: 1 1.00000E-04 1.69704E+01 9.99900E+03 7.52972E-07 2 0.00000E+00 1.39892E+01 9.99000E+02 -8.14216E-07 3 1.00000E-04 9.70400E-01 9.99000E+02 2.36667E-06 4 0.00000E+00 2.75534E+01 9.99000E+02 2.74831E-08 5 0.00000E+00 2.86618E+01 9.99000E+02 -1.09015E-08 6 -9.99000E+02 -1.72127E+01 9.99000E+02 2.28419E-08 7 -9.99000E+02 5.08636E+00 9.99000E+02 -2.41083E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.167708 2.89E-10 3 1 Laue 16.97038 1 0.00010 9999.00000 1 1 K_over T 16.95149 0.06462 13.98924 1 0.00000 999.00000 2 2 B_frag_imp T 14.04753 0.24855 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 0.97040 1 0.00010 999.00000 6 3 K_solv T 0.97033 0.01835 27.55341 1 0.00000 999.00000 7 4 B_solv T 27.53298 3.65731 1.0 -1 1.0 1.0 0 K_solv_imp F 28.66181 1 0.00000 999.00000 8 5 B_solv_imp T 28.52819 2.88293 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.21274 1 -999.00000 999.00000 10 6 B11_over T -17.22379 0.31196 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.08636 1 -999.00000 999.00000 12 7 B22_over T 5.09933 0.30305 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 12.12638 -1 -999.00000 999.00000 15 B33_over F 12.12445 0.00000