Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.08921 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.62205 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 0.92669 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 31.42907 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 43.12150 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 -17.61528 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 4.94876 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 12.66652 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.08921 4.62205 0.92669 31.42907 43.12150 -17.61528 4.94876 value: 2.92482230204463 0.125000000000000 1.147840165893649E-004 f,g S 2.92482230 0.00011478 f,g F 2.92482211 0.00011478 D1, D2, P, A, A/P, sn, gs, a, d : 3.76126E-07 -1.88063E-07 1.88063E-07 1.88101E-07 1.00020E+00 3.59044E-02 -3.76126E-07 1.00020E+00 3.59044E-02 f,g G 2.92482211 0.00000015 f,g F 2.92482211 0.00000015 D1, D2, P, A, A/P, sn, gs, a, d : 2.74199E-13 -1.37100E-13 1.37100E-13 1.15907E-13 8.45423E-01 1.36263E-04 -2.74199E-13 8.66118E-01 3.59117E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.92482211394316 nfev, nfghev: 2 2 Final value: 2.924822 After optimisation: 1 1.00000E-04 1.70859E+01 9.99900E+03 1.68895E-08 2 0.00000E+00 4.62437E+00 9.99000E+02 -4.08084E-08 3 1.00000E-04 9.26715E-01 9.99000E+02 1.42404E-07 4 0.00000E+00 3.14414E+01 9.99000E+02 2.06056E-09 5 0.00000E+00 4.30881E+01 9.99000E+02 -2.00334E-10 6 -9.99000E+02 -1.76142E+01 9.99000E+02 -2.91852E-10 7 -9.99000E+02 4.94886E+00 9.99000E+02 -6.97980E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.924822 2.26E-13 3 1 Laue 17.08595 1 0.00010 9999.00000 1 1 K_over T 17.08921 0.04526 4.62437 1 0.00000 999.00000 2 2 B_frag_imp T 4.62205 0.09276 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 0.92672 1 0.00010 999.00000 6 3 K_solv T 0.92669 0.01612 31.44144 1 0.00000 999.00000 7 4 B_solv T 31.42907 2.89426 1.0 -1 1.0 1.0 0 K_solv_imp F 43.08814 1 0.00000 999.00000 8 5 B_solv_imp T 43.12150 2.00757 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.61416 1 -999.00000 999.00000 10 6 B11_over T -17.61528 0.22994 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.94886 1 -999.00000 999.00000 12 7 B22_over T 4.94876 0.22250 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 12.66529 -1 -999.00000 999.00000 15 B33_over F 12.66652 0.00000