Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.96723 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.83057 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 0.90561 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 32.39845 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 39.80285 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 -17.90833 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 5.01477 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 12.89356 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.96723 3.83057 0.90561 32.39845 39.80285 -17.90833 5.01477 value: 2.88606398422507 0.125000000000000 3.796587898670004E-004 f,g S 2.88606398 0.00037966 f,g F 2.88606181 0.00037966 D1, D2, P, A, A/P, sn, gs, a, d : 4.33470E-06 -2.16735E-06 2.16735E-06 2.16985E-06 1.00116E+00 3.04632E-02 -4.33470E-06 1.00116E+00 3.04632E-02 f,g G 2.88606181 0.00000078 f,g F 2.88606181 0.00000078 D1, D2, P, A, A/P, sn, gs, a, d : 2.52028E-11 -1.26014E-11 1.26014E-11 1.25868E-11 9.98844E-01 2.38725E-04 -2.52028E-11 9.98846E-01 3.04985E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.88606181435835 nfev, nfghev: 2 2 Final value: 2.886062 After optimisation: 1 1.00000E-04 1.69779E+01 9.99900E+03 -4.19846E-07 2 0.00000E+00 3.83744E+00 9.99000E+02 -4.71571E-07 3 1.00000E-04 9.05810E-01 9.99000E+02 4.59072E-07 4 0.00000E+00 3.24262E+01 9.99000E+02 3.17372E-09 5 0.00000E+00 3.98059E+01 9.99000E+02 -4.97191E-09 6 -9.99000E+02 -1.79094E+01 9.99000E+02 -2.05355E-09 7 -9.99000E+02 5.01525E+00 9.99000E+02 1.41542E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.886062 1.34E-11 3 1 Laue 16.97788 1 0.00010 9999.00000 1 1 K_over T 16.96723 0.04246 3.83744 1 0.00000 999.00000 2 2 B_frag_imp T 3.83057 0.07915 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 0.90581 1 0.00010 999.00000 6 3 K_solv T 0.90561 0.01588 32.42621 1 0.00000 999.00000 7 4 B_solv T 32.39845 2.78395 1.0 -1 1.0 1.0 0 K_solv_imp F 39.80589 1 0.00000 999.00000 8 5 B_solv_imp T 39.80285 1.80628 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.90942 1 -999.00000 999.00000 10 6 B11_over T -17.90833 0.21896 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.01525 1 -999.00000 999.00000 12 7 B22_over T 5.01477 0.21184 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 12.89417 -1 -999.00000 999.00000 15 B33_over F 12.89356 0.00000