Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.86945 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 14.24838 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 0.96979 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.46741 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 27.95020 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 -17.29089 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 5.16110 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 12.12979 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.86945 14.24838 0.96979 27.46741 27.95020 -17.29089 5.16110 value: 3.17407223949460 0.125000000000000 4.339024355517012E-004 f,g S 3.17407224 0.00043390 f,g F 3.17406773 0.00043390 D1, D2, P, A, A/P, sn, gs, a, d : 9.04007E-06 -4.52003E-06 4.52003E-06 4.51086E-06 9.97969E-01 1.42646E-01 -9.04007E-06 9.97973E-01 1.25000E-01 f,g G 3.17406773 0.00000163 f,g F 3.17406773 0.00000163 D1, D2, P, A, A/P, sn, gs, a, d : 2.00039E-10 -1.00019E-10 1.00019E-10 1.00028E-10 1.00009E+00 1.24076E-03 -2.00039E-10 1.00009E+00 1.42357E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.17406772853908 nfev, nfghev: 2 2 Final value: 3.174068 After optimisation: 1 1.00000E-04 1.68878E+01 9.99900E+03 4.27862E-07 2 0.00000E+00 1.42068E+01 9.99000E+02 -4.64124E-07 3 1.00000E-04 9.69883E-01 9.99000E+02 1.50157E-06 4 0.00000E+00 2.74766E+01 9.99000E+02 1.73503E-08 5 0.00000E+00 2.80822E+01 9.99000E+02 -5.70531E-09 6 -9.99000E+02 -1.72751E+01 9.99000E+02 2.77376E-08 7 -9.99000E+02 5.14694E+00 9.99000E+02 -1.79348E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.174068 9.52E-11 3 1 Laue 16.88775 1 0.00010 9999.00000 1 1 K_over T 16.86945 0.06491 14.20680 1 0.00000 999.00000 2 2 B_frag_imp T 14.24838 0.25483 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 0.96988 1 0.00010 999.00000 6 3 K_solv T 0.96979 0.01833 27.47662 1 0.00000 999.00000 7 4 B_solv T 27.46741 3.69279 1.0 -1 1.0 1.0 0 K_solv_imp F 28.08216 1 0.00000 999.00000 8 5 B_solv_imp T 27.95020 2.90399 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.27511 1 -999.00000 999.00000 10 6 B11_over T -17.29089 0.31371 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.14694 1 -999.00000 999.00000 12 7 B22_over T 5.16110 0.30493 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 12.12817 -1 -999.00000 999.00000 15 B33_over F 12.12979 0.00000