Details of MaxLik refinement

Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.24540 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.05921 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 0.92171 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.89115 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 45.21596 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 -17.88552 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 5.01993 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 12.86559 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.24540 4.05921 0.92171 30.89115 45.21596 -17.88552 5.01993 value: 2.89422315126415 0.125000000000000 1.400571571210606E-004 f,g S 2.89422315 0.00014006 f,g F 2.89422287 0.00014006 D1, D2, P, A, A/P, sn, gs, a, d : 5.68008E-07 -2.84004E-07 2.84004E-07 2.84065E-07 1.00021E+00 8.95637E-03 -5.68008E-07 1.00021E+00 8.95637E-03 f,g G 2.89422287 0.00000013 f,g F 2.89422287 0.00000013 D1, D2, P, A, A/P, sn, gs, a, d : 2.77602E-13 -1.38801E-13 1.38801E-13 1.41220E-13 1.01743E+00 1.05909E-04 -2.77602E-13 1.01774E+00 8.95828E-03 CONVERGENCE: FRTOL TEST SATISFIED value: 2.89422286719930 nfev, nfghev: 2 2 Final value: 2.894223 After optimisation: 1 1.00000E-04 1.72494E+01 9.99900E+03 -3.23809E-08 2 0.00000E+00 4.06024E+00 9.99000E+02 -4.51263E-08 3 1.00000E-04 9.21730E-01 9.99000E+02 1.12908E-07 4 0.00000E+00 3.08839E+01 9.99000E+02 1.33542E-09 5 0.00000E+00 4.52168E+01 9.99000E+02 -4.82574E-10 6 -9.99000E+02 -1.78839E+01 9.99000E+02 1.60822E-10 7 -9.99000E+02 5.01704E+00 9.99000E+02 -1.18508E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.894223 8.04E-14 3 1 Laue 17.24942 1 0.00010 9999.00000 1 1 K_over T 17.24540 0.04409 4.06024 1 0.00000 999.00000 2 2 B_frag_imp T 4.05921 0.08498 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 0.92173 1 0.00010 999.00000 6 3 K_solv T 0.92171 0.01599 30.88391 1 0.00000 999.00000 7 4 B_solv T 30.89115 2.82800 1.0 -1 1.0 1.0 0 K_solv_imp F 45.21684 1 0.00000 999.00000 8 5 B_solv_imp T 45.21596 1.99214 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.88388 1 -999.00000 999.00000 10 6 B11_over T -17.88552 0.22069 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.01704 1 -999.00000 999.00000 12 7 B22_over T 5.01993 0.21358 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 12.86683 -1 -999.00000 999.00000 15 B33_over F 12.86559 0.00000