Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.84084 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.43903 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 0.90019 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.15337 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 36.57527 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 -17.74321 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 4.89845 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 12.84476 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.84084 3.43903 0.90019 28.15337 36.57527 -17.74321 4.89845 value: 2.85595972253999 0.125000000000000 1.518850520697968E-003 f,g S 2.85595972 0.00151885 f,g F 2.85595513 0.00151885 D1, D2, P, A, A/P, sn, gs, a, d : 9.20772E-06 -4.60386E-06 4.60386E-06 4.59597E-06 9.98287E-01 6.03102E-02 -9.20772E-06 9.98290E-01 6.03102E-02 f,g G 2.85595513 0.00000227 f,g F 2.85595513 0.00000227 D1, D2, P, A, A/P, sn, gs, a, d : 2.57765E-10 -1.28882E-10 1.28882E-10 1.28899E-10 1.00013E+00 1.66294E-03 -2.57765E-10 1.00013E+00 6.03102E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.85595512643815 nfev, nfghev: 2 2 Final value: 2.855955 After optimisation: 1 1.00000E-04 1.78500E+01 9.99900E+03 8.16784E-07 2 0.00000E+00 3.42890E+00 9.99000E+02 -1.85960E-06 3 1.00000E-04 9.02553E-01 9.99000E+02 -1.00110E-06 4 0.00000E+00 2.81162E+01 9.99000E+02 1.39692E-08 5 0.00000E+00 3.66156E+01 9.99000E+02 -2.17717E-08 6 -9.99000E+02 -1.77299E+01 9.99000E+02 5.62124E-08 7 -9.99000E+02 4.88950E+00 9.99000E+02 -1.53670E-08 nvar, nfree, nbind: 7 7 0 Final model : 2.855955 2.14E-10 3 1 Laue 17.84998 1 0.00010 9999.00000 1 1 K_over T 17.84084 0.04307 3.42890 1 0.00000 999.00000 2 2 B_frag_imp T 3.43903 0.06994 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 0.90255 1 0.00010 999.00000 6 3 K_solv T 0.90019 0.01408 28.11624 1 0.00000 999.00000 7 4 B_solv T 28.15337 2.36743 1.0 -1 1.0 1.0 0 K_solv_imp F 36.61558 1 0.00000 999.00000 8 5 B_solv_imp T 36.57527 1.60894 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.72985 1 -999.00000 999.00000 10 6 B11_over T -17.74321 0.21392 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.88950 1 -999.00000 999.00000 12 7 B22_over T 4.89845 0.20596 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 12.84035 -1 -999.00000 999.00000 15 B33_over F 12.84476 0.00000