Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.70683 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.06009 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 0.91541 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.64327 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 42.52525 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 -17.78472 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 5.06212 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 12.72261 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.70683 4.06009 0.91541 30.64327 42.52525 -17.78472 5.06212 value: 2.91373884979669 0.125000000000000 1.524624672286852E-004 f,g S 2.91373885 0.00015246 f,g F 2.91373862 0.00015246 D1, D2, P, A, A/P, sn, gs, a, d : 4.62202E-07 -2.31101E-07 2.31101E-07 2.31080E-07 9.99910E-01 1.95336E-02 -4.62202E-07 9.99910E-01 1.95336E-02 f,g G 2.91373862 0.00000006 f,g F 2.91373862 0.00000006 D1, D2, P, A, A/P, sn, gs, a, d : 2.09312E-13 -1.04656E-13 1.04656E-13 1.07025E-13 1.02264E+00 1.10688E-04 -2.09312E-13 1.02317E+00 1.95336E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.91373861871630 nfev, nfghev: 2 2 Final value: 2.913739 After optimisation: 1 1.00000E-04 1.67102E+01 9.99900E+03 9.93279E-09 2 0.00000E+00 4.05951E+00 9.99000E+02 -4.19546E-08 3 1.00000E-04 9.15461E-01 9.99000E+02 3.74214E-08 4 0.00000E+00 3.06538E+01 9.99000E+02 2.83705E-10 5 0.00000E+00 4.25411E+01 9.99000E+02 -3.36891E-10 6 -9.99000E+02 -1.77825E+01 9.99000E+02 1.54544E-09 7 -9.99000E+02 5.06030E+00 9.99000E+02 -7.59948E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.913739 1.02E-13 3 1 Laue 16.71022 1 0.00010 9999.00000 1 1 K_over T 16.70683 0.04395 4.05951 1 0.00000 999.00000 2 2 B_frag_imp T 4.06009 0.08729 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 0.91546 1 0.00010 999.00000 6 3 K_solv T 0.91541 0.01582 30.65376 1 0.00000 999.00000 7 4 B_solv T 30.64327 2.85817 1.0 -1 1.0 1.0 0 K_solv_imp F 42.54112 1 0.00000 999.00000 8 5 B_solv_imp T 42.52525 1.93379 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.78248 1 -999.00000 999.00000 10 6 B11_over T -17.78472 0.22563 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.06030 1 -999.00000 999.00000 12 7 B22_over T 5.06212 0.21838 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 12.72218 -1 -999.00000 999.00000 15 B33_over F 12.72261 0.00000