Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.14790 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 6.12026 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 0.93387 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.12812 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 41.46988 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 -17.42364 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 5.00804 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 12.41560 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.14790 6.12026 0.93387 28.12812 41.46988 -17.42364 5.00804 value: 2.98252184124117 0.125000000000000 5.532528429702072E-005 f,g S 2.98252184 0.00005533 f,g F 2.98252180 0.00005533 D1, D2, P, A, A/P, sn, gs, a, d : 8.63451E-08 -4.31725E-08 4.31725E-08 4.31742E-08 1.00004E+00 1.23748E-02 -8.63451E-08 1.00004E+00 1.23748E-02 f,g G 2.98252180 0.00000001 f,g F 2.98252180 0.00000001 D1, D2, P, A, A/P, sn, gs, a, d : 3.82610E-15 -1.91305E-15 1.91305E-15 5.32907E-15 2.78564E+00 2.66122E-06 -3.82610E-15 4.00000E+00 1.23753E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.98252179806702 nfev, nfghev: 2 2 Final value: 2.982522 After optimisation: 1 1.00000E-04 1.71497E+01 9.99900E+03 -2.14448E-09 2 0.00000E+00 6.12038E+00 9.99000E+02 -4.41891E-09 3 1.00000E-04 9.33922E-01 9.99000E+02 8.47798E-09 4 0.00000E+00 2.81272E+01 9.99000E+02 9.04998E-11 5 0.00000E+00 4.14821E+01 9.99000E+02 -6.83984E-11 6 -9.99000E+02 -1.74243E+01 9.99000E+02 -1.90466E-11 7 -9.99000E+02 5.00855E+00 9.99000E+02 3.69940E-11 nvar, nfree, nbind: 7 7 0 Final model : 2.982522 1.96E-15 3 1 Laue 17.14970 1 0.00010 9999.00000 1 1 K_over T 17.14790 0.05058 6.12038 1 0.00000 999.00000 2 2 B_frag_imp T 6.12026 0.12075 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 0.93392 1 0.00010 999.00000 6 3 K_solv T 0.93387 0.01685 28.12719 1 0.00000 999.00000 7 4 B_solv T 28.12812 2.92455 1.0 -1 1.0 1.0 0 K_solv_imp F 41.48206 1 0.00000 999.00000 8 5 B_solv_imp T 41.46988 2.12775 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.42431 1 -999.00000 999.00000 10 6 B11_over T -17.42364 0.24798 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.00855 1 -999.00000 999.00000 12 7 B22_over T 5.00804 0.24022 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 12.41576 -1 -999.00000 999.00000 15 B33_over F 12.41560 0.00000