Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.21226 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.12001 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 0.92014 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.76469 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 45.83952 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 -17.89317 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 5.07070 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 12.82248 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.21226 4.12001 0.92014 30.76469 45.83952 -17.89317 5.07070 value: 2.89870412290156 0.125000000000000 5.519600462106983E-005 f,g S 2.89870412 0.00005520 f,g F 2.89870408 0.00005520 D1, D2, P, A, A/P, sn, gs, a, d : 9.24653E-08 -4.62327E-08 4.62327E-08 4.62351E-08 1.00005E+00 3.23619E-02 -9.24653E-08 1.00005E+00 3.23619E-02 f,g G 2.89870408 0.00000004 f,g F 2.89870408 0.00000004 D1, D2, P, A, A/P, sn, gs, a, d : 2.46790E-14 -1.23395E-14 1.23395E-14 3.55271E-15 2.87914E-01 6.15428E-05 -2.46790E-14 5.84083E-01 3.23636E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.89870407666646 nfev, nfghev: 2 2 Final value: 2.898704 After optimisation: 1 1.00000E-04 1.72140E+01 9.99900E+03 -9.68922E-10 2 0.00000E+00 4.11932E+00 9.99000E+02 -8.11153E-09 3 1.00000E-04 9.20144E-01 9.99000E+02 3.49961E-08 4 0.00000E+00 3.07520E+01 9.99000E+02 5.17941E-10 5 0.00000E+00 4.58693E+01 9.99000E+02 -1.72773E-10 6 -9.99000E+02 -1.78930E+01 9.99000E+02 3.02053E-10 7 -9.99000E+02 5.07117E+00 9.99000E+02 2.15132E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.898704 4.31E-14 3 1 Laue 17.21398 1 0.00010 9999.00000 1 1 K_over T 17.21226 0.04447 4.11932 1 0.00000 999.00000 2 2 B_frag_imp T 4.12001 0.08720 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 0.92014 1 0.00010 999.00000 6 3 K_solv T 0.92014 0.01611 30.75205 1 0.00000 999.00000 7 4 B_solv T 30.76469 2.86278 1.0 -1 1.0 1.0 0 K_solv_imp F 45.86930 1 0.00000 999.00000 8 5 B_solv_imp T 45.83952 2.02396 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.89298 1 -999.00000 999.00000 10 6 B11_over T -17.89317 0.22154 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.07117 1 -999.00000 999.00000 12 7 B22_over T 5.07070 0.21447 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 12.82181 -1 -999.00000 999.00000 15 B33_over F 12.82248 0.00000