Details of MaxLik refinement
Calling alabaster 1 8 9 Calling optimiser: i var_all var_fixed constraint 1 17.53372 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2 20.69508 0.00000 0.0 1.0 0.0 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 0.0 4 0.00000 0.00000 0.0 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 0.0 6 0.95011 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 7 34.80865 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 8 11.69735 0.00000 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 9 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 10 -18.74902 0.00000 0.0 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 0.0 12 6.11482 0.00000 0.0 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 0.0 14 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15 12.63420 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.53372 20.69508 0.95011 34.80865 11.69735 0.00000 -18.74902 6.11482 value: 3.25917430633206 0.125000000000000 4.677062096307543E-003 f,g S 3.25917431 0.00467706 f,g F 3.25909043 0.00467706 D1, D2, P, A, A/P, sn, gs, a, d : 1.95553E-04 -9.77767E-05 9.77767E-05 8.38791E-05 8.57864E-01 5.44893E+00 -1.95553E-04 8.75553E-01 1.25000E-01 f,g G 3.25909043 0.00088852 f,g F 3.25908684 0.00088852 D1, D2, P, A, A/P, sn, gs, a, d : 7.00456E-06 -3.50228E-06 3.50228E-06 3.59025E-06 1.02512E+00 1.16167E+00 -7.00456E-06 1.02576E+00 5.00000E-01 f,g G 3.25908684 0.00003105 f,g F 3.25908683 0.00003105 D1, D2, P, A, A/P, sn, gs, a, d : 1.08409E-08 -5.42047E-09 5.42047E-09 5.42637E-09 1.00109E+00 5.40012E-02 -1.08409E-08 1.00109E+00 1.19160E+00 f,g G 3.25908683 0.00000005 f,g F 3.25908683 0.00000005 D1, D2, P, A, A/P, sn, gs, a, d : 2.90625E-14 -1.45312E-14 1.45312E-14 -1.02141E-14 -7.02903E-01 9.14303E-05 -2.90625E-14 3.69973E-01 1.19160E+00 CONVERGENCE: FRTOL TEST SATISFIED value: 3.25908683155720 nfev, nfghev: 4 4 Final value: 3.259087 After optimisation: 1 1.00000E-04 1.74619E+01 9.99900E+03 -2.95535E-10 2 0.00000E+00 2.06793E+01 9.99000E+02 -5.88951E-10 3 1.00000E-04 9.36977E-01 9.99000E+02 -4.99439E-08 4 0.00000E+00 3.67599E+01 9.99000E+02 -9.77471E-11 5 0.00000E+00 7.93325E+00 9.99000E+02 -4.44697E-10 6 -9.99000E+02 -1.52437E-01 9.99000E+02 8.52335E-10 7 -9.99000E+02 -1.87599E+01 9.99000E+02 -2.44779E-11 8 -9.99000E+02 6.11761E+00 9.99000E+02 3.34296E-12 nvar, nfree, nbind: 8 8 0 Final model : 3.259087 5.00E-08 3 1 Laue 17.46186 1 0.00010 9999.00000 1 1 K_over T 17.53372 0.17881 20.67931 1 0.00000 999.00000 2 2 B_frag_imp T 20.69508 0.39376 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 0.93698 1 0.00010 999.00000 6 3 K_solv T 0.95011 0.01798 36.75993 1 0.00000 999.00000 7 4 B_solv T 34.80865 4.01078 1.0 -1 1.0 1.0 0 K_solv_imp F 7.93325 1 0.00000 999.00000 8 5 B_solv_imp T 11.69735 3.61211 -0.15244 1 -999.00000 999.00000 9 6 B_over T 0.00000 0.43564 -18.75986 1 -999.00000 999.00000 10 7 B11_over T -18.74902 0.33527 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 6.11761 1 -999.00000 999.00000 12 8 B22_over T 6.11482 0.32859 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 12.64225 -1 -999.00000 999.00000 15 B33_over F 12.63420 0.00000