Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.12655 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.93408 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 0.90822 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 32.90038 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 39.71828 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 -17.91396 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 5.02373 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 12.89023 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.12655 3.93408 0.90822 32.90038 39.71828 -17.91396 5.02373 value: 2.88476728026228 0.125000000000000 2.095905766048881E-004 f,g S 2.88476728 0.00020959 f,g F 2.88476661 0.00020959 D1, D2, P, A, A/P, sn, gs, a, d : 1.34230E-06 -6.71148E-07 6.71148E-07 6.71568E-07 1.00063E+00 2.61310E-02 -1.34230E-06 1.00063E+00 2.61310E-02 f,g G 2.88476661 0.00000021 f,g F 2.88476661 0.00000021 D1, D2, P, A, A/P, sn, gs, a, d : 2.36667E-12 -1.18334E-12 1.18334E-12 1.17195E-12 9.90378E-01 8.47431E-05 -2.36667E-12 9.90470E-01 2.61473E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.88476660869314 nfev, nfghev: 2 2 Final value: 2.884767 After optimisation: 1 1.00000E-04 1.71324E+01 9.99900E+03 -1.24527E-07 2 0.00000E+00 3.93818E+00 9.99000E+02 -1.42446E-07 3 1.00000E-04 9.08334E-01 9.99000E+02 9.45451E-08 4 0.00000E+00 3.29217E+01 9.99000E+02 6.58114E-10 5 0.00000E+00 3.97048E+01 9.99000E+02 -1.56572E-09 6 -9.99000E+02 -1.79137E+01 9.99000E+02 -2.17523E-10 7 -9.99000E+02 5.02522E+00 9.99000E+02 1.00725E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.884767 1.16E-12 3 1 Laue 17.13238 1 0.00010 9999.00000 1 1 K_over T 17.12655 0.04258 3.93818 1 0.00000 999.00000 2 2 B_frag_imp T 3.93408 0.07939 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 0.90833 1 0.00010 999.00000 6 3 K_solv T 0.90822 0.01577 32.92166 1 0.00000 999.00000 7 4 B_solv T 32.90038 2.77602 1.0 -1 1.0 1.0 0 K_solv_imp F 39.70482 1 0.00000 999.00000 8 5 B_solv_imp T 39.71828 1.81678 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.91367 1 -999.00000 999.00000 10 6 B11_over T -17.91396 0.21903 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.02522 1 -999.00000 999.00000 12 7 B22_over T 5.02373 0.21197 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 12.88845 -1 -999.00000 999.00000 15 B33_over F 12.89023 0.00000