Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.48278 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 19.71367 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 0.95494 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 33.43649 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 12.96825 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 -18.70850 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 6.03529 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 12.67321 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.48278 19.71367 0.95494 33.43649 12.96825 -18.70850 6.03529 value: 3.25448667529894 0.125000000000000 2.779471534879627E-004 f,g S 3.25448668 0.00027795 f,g F 3.25448625 0.00027795 D1, D2, P, A, A/P, sn, gs, a, d : 8.59972E-07 -4.29986E-07 4.29986E-07 4.29338E-07 9.98493E-01 4.98101E-02 -8.59972E-07 9.98495E-01 4.98101E-02 f,g G 3.25448625 0.00000012 f,g F 3.25448625 0.00000012 D1, D2, P, A, A/P, sn, gs, a, d : 9.81050E-12 -4.90525E-12 4.90525E-12 4.89830E-12 9.98584E-01 6.21528E-04 -9.81050E-12 9.98586E-01 4.98101E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 3.25448624595617 nfev, nfghev: 2 2 Final value: 3.254486 After optimisation: 1 1.00000E-04 1.74842E+01 9.99900E+03 4.27204E-08 2 0.00000E+00 1.96829E+01 9.99000E+02 -6.59669E-08 3 1.00000E-04 9.55751E-01 9.99000E+02 -9.44612E-08 4 0.00000E+00 3.34620E+01 9.99000E+02 -1.94564E-10 5 0.00000E+00 1.29974E+01 9.99000E+02 -2.69568E-09 6 -9.99000E+02 -1.87074E+01 9.99000E+02 5.17876E-10 7 -9.99000E+02 6.03120E+00 9.99000E+02 -1.46979E-09 nvar, nfree, nbind: 7 7 0 Final model : 3.254486 4.17E-12 3 1 Laue 17.48423 1 0.00010 9999.00000 1 1 K_over T 17.48278 0.06778 19.68292 1 0.00000 999.00000 2 2 B_frag_imp T 19.71367 0.37621 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 0.95575 1 0.00010 999.00000 6 3 K_solv T 0.95494 0.01834 33.46197 1 0.00000 999.00000 7 4 B_solv T 33.43649 4.11164 1.0 -1 1.0 1.0 0 K_solv_imp F 12.99737 1 0.00000 999.00000 8 5 B_solv_imp T 12.96825 3.37425 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -18.70735 1 -999.00000 999.00000 10 6 B11_over T -18.70850 0.33331 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 6.03120 1 -999.00000 999.00000 12 7 B22_over T 6.03529 0.32696 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 12.67615 -1 -999.00000 999.00000 15 B33_over F 12.67321 0.00000