Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.86712 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 2.38466 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 0.90537 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 29.23483 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 34.71708 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 -17.75589 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 4.89206 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 12.86383 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.86712 2.38466 0.90537 29.23483 34.71708 -17.75589 4.89206 value: 2.80352574749889 0.125000000000000 1.857323546771668E-004 f,g S 2.80352575 0.00018573 f,g F 2.80352537 0.00018573 D1, D2, P, A, A/P, sn, gs, a, d : 7.47150E-07 -3.73575E-07 3.73575E-07 3.73649E-07 1.00020E+00 1.63666E-02 -7.47150E-07 1.00020E+00 1.63666E-02 f,g G 2.80352537 0.00000020 f,g F 2.80352537 0.00000020 D1, D2, P, A, A/P, sn, gs, a, d : 4.12141E-13 -2.06070E-13 2.06070E-13 2.02505E-13 9.82697E-01 5.49890E-05 -4.12141E-13 9.82991E-01 1.63698E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.80352537384954 nfev, nfghev: 2 2 Final value: 2.803525 After optimisation: 1 1.00000E-04 1.68713E+01 9.99900E+03 -4.02042E-08 2 0.00000E+00 2.38507E+00 9.99000E+02 -9.94794E-08 3 1.00000E-04 9.05419E-01 9.99000E+02 1.71900E-07 4 0.00000E+00 2.92308E+01 9.99000E+02 2.02362E-09 5 0.00000E+00 3.47324E+01 9.99000E+02 -9.20510E-10 6 -9.99000E+02 -1.77563E+01 9.99000E+02 6.11754E-11 7 -9.99000E+02 4.89182E+00 9.99000E+02 -3.87449E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.803525 2.68E-13 3 1 Laue 16.87130 1 0.00010 9999.00000 1 1 K_over T 16.86712 0.03742 2.38507 1 0.00000 999.00000 2 2 B_frag_imp T 2.38466 0.05503 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 0.90542 1 0.00010 999.00000 6 3 K_solv T 0.90537 0.01363 29.23082 1 0.00000 999.00000 7 4 B_solv T 29.23483 2.28459 1.0 -1 1.0 1.0 0 K_solv_imp F 34.73242 1 0.00000 999.00000 8 5 B_solv_imp T 34.71708 1.44228 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.75631 1 -999.00000 999.00000 10 6 B11_over T -17.75589 0.19776 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.89182 1 -999.00000 999.00000 12 7 B22_over T 4.89206 0.18972 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 12.86450 -1 -999.00000 999.00000 15 B33_over F 12.86383 0.00000