Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.82158 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.74039 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 0.90243 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 32.01971 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 39.78382 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 -17.90695 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 5.01075 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 12.89620 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.82158 3.74039 0.90243 32.01971 39.78382 -17.90695 5.01075 value: 2.88757366474395 0.125000000000000 2.054345135137161E-004 f,g S 2.88757366 0.00020543 f,g F 2.88757307 0.00020543 D1, D2, P, A, A/P, sn, gs, a, d : 1.19276E-06 -5.96382E-07 5.96382E-07 5.96672E-07 1.00049E+00 1.17609E-02 -1.19276E-06 1.00049E+00 1.17609E-02 f,g G 2.88757307 0.00000019 f,g F 2.88757307 0.00000019 D1, D2, P, A, A/P, sn, gs, a, d : 1.49001E-12 -7.45005E-13 7.45005E-13 7.46958E-13 1.00262E+00 6.52833E-05 -1.49001E-12 1.00263E+00 1.17666E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.88757306807138 nfev, nfghev: 2 2 Final value: 2.887573 After optimisation: 1 1.00000E-04 1.68272E+01 9.99900E+03 -9.86857E-08 2 0.00000E+00 3.74332E+00 9.99000E+02 -1.17084E-07 3 1.00000E-04 9.02575E-01 9.99000E+02 1.18964E-07 4 0.00000E+00 3.20294E+01 9.99000E+02 8.39074E-10 5 0.00000E+00 3.97855E+01 9.99000E+02 -1.25901E-09 6 -9.99000E+02 -1.79067E+01 9.99000E+02 -5.07912E-10 7 -9.99000E+02 5.00886E+00 9.99000E+02 -6.32226E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.887573 8.31E-13 3 1 Laue 16.82719 1 0.00010 9999.00000 1 1 K_over T 16.82158 0.04236 3.74332 1 0.00000 999.00000 2 2 B_frag_imp T 3.74039 0.07914 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 0.90257 1 0.00010 999.00000 6 3 K_solv T 0.90243 0.01599 32.02935 1 0.00000 999.00000 7 4 B_solv T 32.01971 2.80144 1.0 -1 1.0 1.0 0 K_solv_imp F 39.78554 1 0.00000 999.00000 8 5 B_solv_imp T 39.78382 1.79833 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.90670 1 -999.00000 999.00000 10 6 B11_over T -17.90695 0.21889 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.00886 1 -999.00000 999.00000 12 7 B22_over T 5.01075 0.21170 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 12.89784 -1 -999.00000 999.00000 15 B33_over F 12.89620 0.00000