Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.19035 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 16.19271 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 0.94335 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.64003 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 19.50756 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 -18.56707 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 5.84212 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 12.72495 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.19035 16.19271 0.94335 28.64003 19.50756 -18.56707 5.84212 value: 3.21245006852617 0.125000000000000 6.504800594618586E-004 f,g S 3.21245007 0.00065048 f,g F 3.21244124 0.00065048 D1, D2, P, A, A/P, sn, gs, a, d : 1.77696E-05 -8.88479E-06 8.88479E-06 8.83234E-06 9.94097E-01 4.75040E-01 -1.77696E-05 9.94132E-01 1.25000E-01 f,g G 3.21244124 0.00000547 f,g F 3.21244123 0.00000547 D1, D2, P, A, A/P, sn, gs, a, d : 2.58068E-09 -1.29034E-09 1.29034E-09 1.29048E-09 1.00011E+00 8.48923E-03 -2.58068E-09 1.00011E+00 4.72252E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.21244123489316 nfev, nfghev: 2 2 Final value: 3.212441 After optimisation: 1 1.00000E-04 1.72138E+01 9.99900E+03 1.18117E-06 2 0.00000E+00 1.60838E+01 9.99000E+02 -1.34720E-06 3 1.00000E-04 9.43721E-01 9.99000E+02 5.17180E-06 4 0.00000E+00 2.84694E+01 9.99000E+02 8.22026E-08 5 0.00000E+00 1.99395E+01 9.99000E+02 -1.83702E-08 6 -9.99000E+02 -1.85539E+01 9.99000E+02 4.81175E-08 7 -9.99000E+02 5.83108E+00 9.99000E+02 -1.41015E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.212441 3.64E-10 3 1 Laue 17.21376 1 0.00010 9999.00000 1 1 K_over T 17.19035 0.06656 16.08380 1 0.00000 999.00000 2 2 B_frag_imp T 16.19271 0.29879 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 0.94372 1 0.00010 999.00000 6 3 K_solv T 0.94335 0.01799 28.46940 1 0.00000 999.00000 7 4 B_solv T 28.64003 3.65664 1.0 -1 1.0 1.0 0 K_solv_imp F 19.93950 1 0.00000 999.00000 8 5 B_solv_imp T 19.50756 2.91590 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -18.55387 1 -999.00000 999.00000 10 6 B11_over T -18.56707 0.31963 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.83108 1 -999.00000 999.00000 12 7 B22_over T 5.84212 0.31308 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 12.72279 -1 -999.00000 999.00000 15 B33_over F 12.72495 0.00000