Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.52015 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 5.25839 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 0.92502 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.31969 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 40.63490 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 -17.48915 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 5.02464 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 12.46451 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.52015 5.25839 0.92502 27.31969 40.63490 -17.48915 5.02464 value: 2.98006951015845 0.125000000000000 7.886612643224105E-005 f,g S 2.98006951 0.00007887 f,g F 2.98006946 0.00007887 D1, D2, P, A, A/P, sn, gs, a, d : 1.07177E-07 -5.35887E-08 5.35887E-08 5.35871E-08 9.99970E-01 1.24080E-02 -1.07177E-07 9.99970E-01 1.24080E-02 f,g G 2.98006946 0.00000001 f,g F 2.98006946 0.00000001 D1, D2, P, A, A/P, sn, gs, a, d : 3.37401E-14 -1.68701E-14 1.68701E-14 1.37668E-14 8.16048E-01 7.04421E-05 -3.37401E-14 8.44629E-01 1.24080E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.98006945657131 nfev, nfghev: 2 2 Final value: 2.980069 After optimisation: 1 1.00000E-04 1.65217E+01 9.99900E+03 3.04042E-09 2 0.00000E+00 5.25802E+00 9.99000E+02 -7.43109E-09 3 1.00000E-04 9.25056E-01 9.99000E+02 -1.06383E-08 4 0.00000E+00 2.73319E+01 9.99000E+02 -2.53258E-10 5 0.00000E+00 4.06347E+01 9.99000E+02 -9.62115E-11 6 -9.99000E+02 -1.74882E+01 9.99000E+02 2.07622E-10 7 -9.99000E+02 5.02333E+00 9.99000E+02 -3.63098E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.980069 3.88E-14 3 1 Laue 16.52173 1 0.00010 9999.00000 1 1 K_over T 16.52015 0.04846 5.25802 1 0.00000 999.00000 2 2 B_frag_imp T 5.25839 0.11136 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 0.92506 1 0.00010 999.00000 6 3 K_solv T 0.92502 0.01586 27.33195 1 0.00000 999.00000 7 4 B_solv T 27.31969 2.84538 1.0 -1 1.0 1.0 0 K_solv_imp F 40.63467 1 0.00000 999.00000 8 5 B_solv_imp T 40.63490 2.01304 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.48818 1 -999.00000 999.00000 10 6 B11_over T -17.48915 0.24585 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.02333 1 -999.00000 999.00000 12 7 B22_over T 5.02464 0.23808 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 12.46485 -1 -999.00000 999.00000 15 B33_over F 12.46451 0.00000