Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 18.08846 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2 24.05864 0.00000 0.0 1.0 0.0 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 0.0 4 0.00000 0.00000 0.0 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 0.0 6 0.98810 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 7 24.26912 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 8 13.16583 0.00000 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 9 -9.43127 0.00000 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 10 -18.23332 0.00000 0.0 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 0.0 12 5.97104 0.00000 0.0 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 0.0 14 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15 12.26228 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 18.08846 24.05864 0.98810 24.26912 13.16583 -9.43127 -18.23332 5.97104 value: 3.27654663750932 0.125000000000000 1.498377317670066E-005 f,g S 3.27654664 0.00001498 f,g F 3.27654656 0.00001498 D1, D2, P, A, A/P, sn, gs, a, d : 1.58143E-07 -7.90717E-08 7.90717E-08 7.91761E-08 1.00132E+00 2.85781E-02 -1.58143E-07 1.00132E+00 2.85781E-02 f,g G 3.27654656 0.00000003 f,g F 3.27654656 0.00000003 D1, D2, P, A, A/P, sn, gs, a, d : 6.62147E-13 -3.31073E-13 3.31073E-13 3.37952E-13 1.02078E+00 1.25683E-04 -6.62147E-13 1.02122E+00 2.86159E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 3.27654655833285 nfev, nfghev: 2 2 Final value: 3.276547 After optimisation: 1 1.00000E-04 1.80922E+01 9.99900E+03 7.62441E-09 2 0.00000E+00 2.40803E+01 9.99000E+02 -1.40491E-08 3 1.00000E-04 9.88363E-01 9.99000E+02 -2.40266E-08 4 0.00000E+00 2.42774E+01 9.99000E+02 -8.78512E-11 5 0.00000E+00 1.31797E+01 9.99000E+02 -1.10942E-09 6 -9.99000E+02 -9.42271E+00 9.99000E+02 -1.73824E-09 7 -9.99000E+02 -1.82323E+01 9.99000E+02 -1.61303E-10 8 -9.99000E+02 5.97155E+00 9.99000E+02 -1.38551E-10 nvar, nfree, nbind: 8 8 0 Final model : 3.276547 3.13E-13 3 1 Laue 18.09219 1 0.00010 9999.00000 1 1 K_over T 18.08846 0.19415 24.08033 1 0.00000 999.00000 2 2 B_frag_imp T 24.05864 0.46150 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 0.98836 1 0.00010 999.00000 6 3 K_solv T 0.98810 0.02072 24.27741 1 0.00000 999.00000 7 4 B_solv T 24.26912 5.37903 1.0 -1 1.0 1.0 0 K_solv_imp F 13.17972 1 0.00000 999.00000 8 5 B_solv_imp T 13.16583 4.73448 -9.42271 1 -999.00000 999.00000 9 6 B_over T -9.43127 0.44966 -18.23227 1 -999.00000 999.00000 10 7 B11_over T -18.23332 0.34342 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.97155 1 -999.00000 999.00000 12 8 B22_over T 5.97104 0.33595 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 12.26073 -1 -999.00000 999.00000 15 B33_over F 12.26228 0.00000