Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.24969 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.04008 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 0.92215 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.74798 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 45.03364 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 -17.88892 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 5.00983 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 12.87909 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.24969 4.04008 0.92215 30.74798 45.03364 -17.88892 5.00983 value: 2.89283396050553 0.125000000000000 6.796282914663407E-005 f,g S 2.89283396 0.00006796 f,g F 2.89283386 0.00006796 D1, D2, P, A, A/P, sn, gs, a, d : 1.92437E-07 -9.62187E-08 9.62187E-08 9.61673E-08 9.99465E-01 2.11103E-02 -1.92437E-07 9.99466E-01 2.11103E-02 f,g G 2.89283386 0.00000006 f,g F 2.89283386 0.00000006 D1, D2, P, A, A/P, sn, gs, a, d : 1.60809E-13 -8.04045E-14 8.04045E-14 8.34888E-14 1.03836E+00 2.64622E-05 -1.60809E-13 1.03989E+00 2.11103E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.89283386433816 nfev, nfghev: 2 2 Final value: 2.892834 After optimisation: 1 1.00000E-04 1.72478E+01 9.99900E+03 -2.49541E-08 2 0.00000E+00 4.03741E+00 9.99000E+02 -3.73549E-08 3 1.00000E-04 9.22149E-01 9.99000E+02 3.17285E-08 4 0.00000E+00 3.07324E+01 9.99000E+02 2.04728E-10 5 0.00000E+00 4.50198E+01 9.99000E+02 -6.51463E-10 6 -9.99000E+02 -1.78898E+01 9.99000E+02 -3.86477E-10 7 -9.99000E+02 5.00977E+00 9.99000E+02 1.16984E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.892834 7.95E-14 3 1 Laue 17.24776 1 0.00010 9999.00000 1 1 K_over T 17.24969 0.04401 4.03741 1 0.00000 999.00000 2 2 B_frag_imp T 4.04008 0.08475 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 0.92215 1 0.00010 999.00000 6 3 K_solv T 0.92215 0.01593 30.73243 1 0.00000 999.00000 7 4 B_solv T 30.74798 2.81352 1.0 -1 1.0 1.0 0 K_solv_imp F 45.01983 1 0.00000 999.00000 8 5 B_solv_imp T 45.03364 1.98162 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.88980 1 -999.00000 999.00000 10 6 B11_over T -17.88892 0.22034 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.00977 1 -999.00000 999.00000 12 7 B22_over T 5.00983 0.21321 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 12.88003 -1 -999.00000 999.00000 15 B33_over F 12.87909 0.00000