Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.10128 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 5.38082 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 0.93408 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 29.86822 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 42.26751 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 -17.42590 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 4.94615 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 12.47975 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.10128 5.38082 0.93408 29.86822 42.26751 -17.42590 4.94615 value: 2.95720150710124 0.125000000000000 2.432190846054321E-004 f,g S 2.95720151 0.00024322 f,g F 2.95720080 0.00024322 D1, D2, P, A, A/P, sn, gs, a, d : 1.42291E-06 -7.11455E-07 7.11455E-07 7.11217E-07 9.99666E-01 3.20127E-02 -1.42291E-06 9.99666E-01 3.20127E-02 f,g G 2.95720080 0.00000023 f,g F 2.95720080 0.00000023 D1, D2, P, A, A/P, sn, gs, a, d : 1.88331E-12 -9.41656E-13 9.41656E-13 9.41913E-13 1.00027E+00 1.75967E-04 -1.88331E-12 1.00027E+00 3.20127E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.95720079588356 nfev, nfghev: 2 2 Final value: 2.957201 After optimisation: 1 1.00000E-04 1.71077E+01 9.99900E+03 5.32693E-08 2 0.00000E+00 5.37786E+00 9.99000E+02 -1.13381E-07 3 1.00000E-04 9.34162E-01 9.99000E+02 1.93070E-07 4 0.00000E+00 2.98784E+01 9.99000E+02 2.26218E-09 5 0.00000E+00 4.22964E+01 9.99000E+02 -8.88850E-10 6 -9.99000E+02 -1.74314E+01 9.99000E+02 -4.15353E-09 7 -9.99000E+02 4.94797E+00 9.99000E+02 -1.64740E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.957201 1.37E-12 3 1 Laue 17.10771 1 0.00010 9999.00000 1 1 K_over T 17.10128 0.04786 5.37786 1 0.00000 999.00000 2 2 B_frag_imp T 5.38082 0.10595 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 0.93416 1 0.00010 999.00000 6 3 K_solv T 0.93408 0.01620 29.87844 1 0.00000 999.00000 7 4 B_solv T 29.86822 2.89977 1.0 -1 1.0 1.0 0 K_solv_imp F 42.29638 1 0.00000 999.00000 8 5 B_solv_imp T 42.26751 2.06591 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.43138 1 -999.00000 999.00000 10 6 B11_over T -17.42590 0.24032 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.94797 1 -999.00000 999.00000 12 7 B22_over T 4.94615 0.23255 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 12.48342 -1 -999.00000 999.00000 15 B33_over F 12.47975 0.00000