Details of MaxLik refinement
Calling alabaster 1 8 9 Calling optimiser: i var_all var_fixed constraint 1 17.12606 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2 7.50051 0.00000 0.0 1.0 0.0 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 0.0 4 0.00000 0.00000 0.0 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 0.0 6 0.93845 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 7 27.30265 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 8 41.64800 0.00000 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 9 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 10 -17.59936 0.00000 0.0 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 0.0 12 5.02083 0.00000 0.0 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 0.0 14 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15 12.57854 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.12606 7.50051 0.93845 27.30265 41.64800 0.00000 -17.59936 5.02083 value: 3.03610575587101 0.125000000000000 1.457951278115762E-002 f,g S 3.03610576 0.01457951 f,g F 3.03048618 0.01457951 D1, D2, P, A, A/P, sn, gs, a, d : 1.42084E-02 -7.10421E-03 7.10421E-03 5.61958E-03 7.91021E-01 4.53901E+00 -1.42084E-02 8.27144E-01 1.25000E-01 f,g G 3.03048618 0.00747455 f,g F 3.02987002 0.00747455 D1, D2, P, A, A/P, sn, gs, a, d : 1.21976E-03 -6.09878E-04 6.09878E-04 6.16154E-04 1.01029E+00 5.38173E+00 -1.21976E-03 1.01040E+00 5.00000E-01 f,g G 3.02987002 0.00023900 f,g F 3.02984263 0.00023900 D1, D2, P, A, A/P, sn, gs, a, d : 5.53101E-05 -2.76551E-05 2.76551E-05 2.73978E-05 9.90699E-01 3.14669E+00 -5.53101E-05 9.90785E-01 2.00000E+00 f,g G 3.02984263 0.00007871 f,g F 3.02984254 0.00007871 D1, D2, P, A, A/P, sn, gs, a, d : 1.67753E-07 -8.38765E-08 8.38765E-08 8.38477E-08 9.99657E-01 4.54884E-02 -1.67753E-07 9.99657E-01 3.11770E+00 f,g G 3.02984254 0.00000005 f,g F 3.02984254 0.00000005 D1, D2, P, A, A/P, sn, gs, a, d : 1.06497E-13 -5.32486E-14 5.32486E-14 5.15143E-14 9.67432E-01 1.89932E-05 -1.06497E-13 9.68459E-01 3.11770E+00 CONVERGENCE: FRTOL TEST SATISFIED value: 3.02984254323432 nfev, nfghev: 5 5 Final value: 3.029843 After optimisation: 1 1.00000E-04 1.63370E+01 9.99900E+03 2.20800E-08 2 0.00000E+00 6.37655E+00 9.99000E+02 -2.19367E-08 3 1.00000E-04 9.23324E-01 9.99000E+02 4.38236E-08 4 0.00000E+00 2.29850E+01 9.99000E+02 6.94934E-10 5 0.00000E+00 4.01513E+01 9.99000E+02 -5.47997E-10 6 -9.99000E+02 -3.34764E+00 9.99000E+02 -8.57434E-09 7 -9.99000E+02 -1.76640E+01 9.99000E+02 4.49843E-10 8 -9.99000E+02 5.04345E+00 9.99000E+02 1.28349E-11 nvar, nfree, nbind: 8 8 0 Final model : 3.029843 5.09E-14 3 1 Laue 16.33700 1 0.00010 9999.00000 1 1 K_over T 17.12606 0.12736 6.37655 1 0.00000 999.00000 2 2 B_frag_imp T 7.50051 0.13421 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 0.92332 1 0.00010 999.00000 6 3 K_solv T 0.93845 0.01690 22.98502 1 0.00000 999.00000 7 4 B_solv T 27.30265 2.99951 1.0 -1 1.0 1.0 0 K_solv_imp F 40.15128 1 0.00000 999.00000 8 5 B_solv_imp T 41.64800 2.36016 -3.34764 1 -999.00000 999.00000 9 6 B_over T 0.00000 0.33918 -17.66404 1 -999.00000 999.00000 10 7 B11_over T -17.59936 0.26108 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.04345 1 -999.00000 999.00000 12 8 B22_over T 5.02083 0.25320 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 12.62060 -1 -999.00000 999.00000 15 B33_over F 12.57854 0.00000