Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.68529 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 2.72264 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 0.87813 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 35.55668 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 24.45574 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 -17.90661 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 4.91815 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 12.98846 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.68529 2.72264 0.87813 35.55668 24.45574 -17.90661 4.91815 value: 2.77922377336859 0.125000000000000 1.652021574601546E-005 f,g S 2.77922377 0.00001652 f,g F 2.77922377 0.00001652 D1, D2, P, A, A/P, sn, gs, a, d : 4.52052E-09 -2.26026E-09 2.26026E-09 2.26004E-09 9.99901E-01 2.92797E-03 -4.52052E-09 9.99901E-01 2.92797E-03 CONVERGENCE: FRTOL TEST SATISFIED value: 2.77922377110856 nfev, nfghev: 1 1 Final value: 2.779224 After optimisation: 1 1.00000E-04 1.66855E+01 9.99900E+03 -1.01557E-05 2 0.00000E+00 2.72232E+00 9.99000E+02 8.91389E-06 3 1.00000E-04 8.78126E-01 9.99000E+02 -9.50012E-06 4 0.00000E+00 3.55565E+01 9.99000E+02 -2.01214E-07 5 0.00000E+00 2.44586E+01 9.99000E+02 4.00400E-08 6 -9.99000E+02 -1.79066E+01 9.99000E+02 -1.38533E-07 7 -9.99000E+02 4.91808E+00 9.99000E+02 9.02142E-08 nvar, nfree, nbind: 7 7 0 Final model : 2.779224 3.24E-09 3 1 Laue 16.68547 1 0.00010 9999.00000 1 1 K_over T 16.68529 0.03475 2.72232 1 0.00000 999.00000 2 2 B_frag_imp T 2.72264 0.05158 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 0.87813 1 0.00010 999.00000 6 3 K_solv T 0.87813 0.01262 35.55646 1 0.00000 999.00000 7 4 B_solv T 35.55668 2.05090 1.0 -1 1.0 1.0 0 K_solv_imp F 24.45863 1 0.00000 999.00000 8 5 B_solv_imp T 24.45574 1.12732 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.90656 1 -999.00000 999.00000 10 6 B11_over T -17.90661 0.19455 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.91808 1 -999.00000 999.00000 12 7 B22_over T 4.91815 0.18690 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 12.98848 -1 -999.00000 999.00000 15 B33_over F 12.98846 0.00000