Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.68786 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 12.34760 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 0.97850 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.03442 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 35.28210 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 -17.19024 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 4.87833 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 12.31191 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.68786 12.34760 0.97850 27.03442 35.28210 -17.19024 4.87833 value: 3.11675762344400 0.125000000000000 5.437642733949960E-004 f,g S 3.11675762 0.00054376 f,g F 3.11675175 0.00054376 D1, D2, P, A, A/P, sn, gs, a, d : 1.17905E-05 -5.89523E-06 5.89523E-06 5.87447E-06 9.96480E-01 2.79575E-01 -1.17905E-05 9.96492E-01 1.25000E-01 f,g G 3.11675175 0.00000355 f,g F 3.11675175 0.00000355 D1, D2, P, A, A/P, sn, gs, a, d : 5.94110E-10 -2.97055E-10 2.97055E-10 2.97068E-10 1.00004E+00 3.17847E-03 -5.94110E-10 1.00004E+00 2.78594E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.11675174867226 nfev, nfghev: 2 2 Final value: 3.116752 After optimisation: 1 1.00000E-04 1.77084E+01 9.99900E+03 7.12918E-07 2 0.00000E+00 1.22923E+01 9.99000E+02 -9.20675E-07 3 1.00000E-04 9.78694E-01 9.99000E+02 3.35391E-06 4 0.00000E+00 2.69712E+01 9.99000E+02 4.90436E-08 5 0.00000E+00 3.55482E+01 9.99000E+02 -6.12129E-09 6 -9.99000E+02 -1.71959E+01 9.99000E+02 -1.76950E-08 7 -9.99000E+02 4.87199E+00 9.99000E+02 -3.14868E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.116752 1.04E-10 3 1 Laue 17.70835 1 0.00010 9999.00000 1 1 K_over T 17.68786 0.06336 12.29228 1 0.00000 999.00000 2 2 B_frag_imp T 12.34760 0.20888 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 0.97869 1 0.00010 999.00000 6 3 K_solv T 0.97850 0.01920 26.97121 1 0.00000 999.00000 7 4 B_solv T 27.03442 3.47978 1.0 -1 1.0 1.0 0 K_solv_imp F 35.54825 1 0.00000 999.00000 8 5 B_solv_imp T 35.28210 2.80035 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.19594 1 -999.00000 999.00000 10 6 B11_over T -17.19024 0.29579 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.87199 1 -999.00000 999.00000 12 7 B22_over T 4.87833 0.28695 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 12.32394 -1 -999.00000 999.00000 15 B33_over F 12.31191 0.00000