Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.25819 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.05762 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 0.92187 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.86870 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 45.15300 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 -17.88297 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 5.01264 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 12.87034 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.25819 4.05762 0.92187 30.86870 45.15300 -17.88297 5.01264 value: 2.89355057465353 0.125000000000000 6.042435311843967E-005 f,g S 2.89355057 0.00006042 f,g F 2.89355052 0.00006042 D1, D2, P, A, A/P, sn, gs, a, d : 1.03692E-07 -5.18458E-08 5.18458E-08 5.18504E-08 1.00009E+00 4.57857E-03 -1.03692E-07 1.00009E+00 4.57857E-03 f,g G 2.89355052 0.00000002 f,g F 2.89355052 0.00000002 D1, D2, P, A, A/P, sn, gs, a, d : 7.97397E-15 -3.98699E-15 3.98699E-15 -2.66454E-15 -6.68308E-01 1.15815E-05 -7.97397E-15 3.74769E-01 4.57898E-03 CONVERGENCE: FRTOL TEST SATISFIED value: 2.89355052280312 nfev, nfghev: 2 2 Final value: 2.893551 After optimisation: 1 1.00000E-04 1.72599E+01 9.99900E+03 -5.60933E-09 2 0.00000E+00 4.05818E+00 9.99000E+02 -8.31596E-09 3 1.00000E-04 9.21932E-01 9.99000E+02 1.25909E-08 4 0.00000E+00 3.08659E+01 9.99000E+02 1.69139E-10 5 0.00000E+00 4.51499E+01 9.99000E+02 -9.98836E-11 6 -9.99000E+02 -1.78829E+01 9.99000E+02 -1.37535E-11 7 -9.99000E+02 5.01220E+00 9.99000E+02 -8.39142E-11 nvar, nfree, nbind: 7 7 0 Final model : 2.893551 1.61E-08 3 1 Laue 17.25991 1 0.00010 9999.00000 1 1 K_over T 17.25819 0.04407 4.05818 1 0.00000 999.00000 2 2 B_frag_imp T 4.05762 0.08490 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 0.92193 1 0.00010 999.00000 6 3 K_solv T 0.92187 0.01597 30.86590 1 0.00000 999.00000 7 4 B_solv T 30.86870 2.82222 1.0 -1 1.0 1.0 0 K_solv_imp F 45.14989 1 0.00000 999.00000 8 5 B_solv_imp T 45.15300 1.98919 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.88293 1 -999.00000 999.00000 10 6 B11_over T -17.88297 0.22055 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.01220 1 -999.00000 999.00000 12 7 B22_over T 5.01264 0.21344 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 12.87073 -1 -999.00000 999.00000 15 B33_over F 12.87034 0.00000