Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.20345 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.97397 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 0.91062 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 33.01646 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 39.41018 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 -17.92206 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 5.04602 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 12.87604 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.20345 3.97397 0.91062 33.01646 39.41018 -17.92206 5.04602 value: 2.88311885106020 0.125000000000000 1.826293885790076E-004 f,g S 2.88311885 0.00018263 f,g F 2.88311829 0.00018263 D1, D2, P, A, A/P, sn, gs, a, d : 1.12185E-06 -5.60926E-07 5.60926E-07 5.60466E-07 9.99181E-01 2.48131E-02 -1.12185E-06 9.99181E-01 2.48131E-02 f,g G 2.88311829 0.00000025 f,g F 2.88311829 0.00000025 D1, D2, P, A, A/P, sn, gs, a, d : 2.68016E-12 -1.34008E-12 1.34008E-12 1.35492E-12 1.01107E+00 8.12085E-05 -2.68016E-12 1.01119E+00 2.48131E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.88311829059278 nfev, nfghev: 2 2 Final value: 2.883118 After optimisation: 1 1.00000E-04 1.71982E+01 9.99900E+03 -1.30482E-07 2 0.00000E+00 3.96952E+00 9.99000E+02 -1.53085E-07 3 1.00000E-04 9.10541E-01 9.99000E+02 1.44182E-07 4 0.00000E+00 3.29990E+01 9.99000E+02 8.69830E-10 5 0.00000E+00 3.93941E+01 9.99000E+02 -1.91056E-09 6 -9.99000E+02 -1.79226E+01 9.99000E+02 -7.34314E-10 7 -9.99000E+02 5.04505E+00 9.99000E+02 6.96118E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.883118 1.35E-12 3 1 Laue 17.19815 1 0.00010 9999.00000 1 1 K_over T 17.20345 0.04254 3.96952 1 0.00000 999.00000 2 2 B_frag_imp T 3.97397 0.07935 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 0.91054 1 0.00010 999.00000 6 3 K_solv T 0.91062 0.01557 32.99900 1 0.00000 999.00000 7 4 B_solv T 33.01646 2.75202 1.0 -1 1.0 1.0 0 K_solv_imp F 39.39410 1 0.00000 999.00000 8 5 B_solv_imp T 39.41018 1.81177 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.92264 1 -999.00000 999.00000 10 6 B11_over T -17.92206 0.21884 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.04505 1 -999.00000 999.00000 12 7 B22_over T 5.04602 0.21184 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 12.87758 -1 -999.00000 999.00000 15 B33_over F 12.87604 0.00000