Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.21665 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 13.29382 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 0.97180 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.56185 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 30.72006 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 -17.12654 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 4.97909 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 12.14745 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.21665 13.29382 0.97180 27.56185 30.72006 -17.12654 4.97909 value: 3.14522452217992 0.125000000000000 1.115251088331857E-003 f,g S 3.14522452 0.00111525 f,g F 3.14519879 0.00111525 D1, D2, P, A, A/P, sn, gs, a, d : 5.16805E-05 -2.58403E-05 2.58403E-05 2.57312E-05 9.95779E-01 3.95469E-01 -5.16805E-05 9.95796E-01 1.25000E-01 f,g G 3.14519879 0.00000931 f,g F 3.14519879 0.00000931 D1, D2, P, A, A/P, sn, gs, a, d : 5.23957E-09 -2.61979E-09 2.61979E-09 2.62029E-09 1.00019E+00 4.99625E-03 -5.23957E-09 1.00019E+00 3.93806E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.14519878836593 nfev, nfghev: 2 2 Final value: 3.145199 After optimisation: 1 1.00000E-04 1.72633E+01 9.99900E+03 2.20323E-06 2 0.00000E+00 1.32074E+01 9.99000E+02 -2.60916E-06 3 1.00000E-04 9.72508E-01 9.99000E+02 8.66460E-06 4 0.00000E+00 2.75298E+01 9.99000E+02 1.11354E-07 5 0.00000E+00 3.10976E+01 9.99000E+02 -2.63822E-08 6 -9.99000E+02 -1.71188E+01 9.99000E+02 4.95323E-08 7 -9.99000E+02 4.96272E+00 9.99000E+02 -8.84959E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.145199 2.05E-09 3 1 Laue 17.26330 1 0.00010 9999.00000 1 1 K_over T 17.21665 0.06382 13.20736 1 0.00000 999.00000 2 2 B_frag_imp T 13.29382 0.22878 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 0.97251 1 0.00010 999.00000 6 3 K_solv T 0.97180 0.01856 27.52980 1 0.00000 999.00000 7 4 B_solv T 27.56185 3.55009 1.0 -1 1.0 1.0 0 K_solv_imp F 31.09756 1 0.00000 999.00000 8 5 B_solv_imp T 30.72006 2.82292 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.11883 1 -999.00000 999.00000 10 6 B11_over T -17.12654 0.30530 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.96272 1 -999.00000 999.00000 12 7 B22_over T 4.97909 0.29622 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 12.15611 -1 -999.00000 999.00000 15 B33_over F 12.14745 0.00000