Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.37081 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 6.28690 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 0.92280 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 26.60638 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 40.25441 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 -17.62072 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 5.00450 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 12.61622 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.37081 6.28690 0.92280 26.60638 40.25441 -17.62072 5.00450 value: 3.02394198707619 0.125000000000000 1.803207437185887E-004 f,g S 3.02394199 0.00018032 f,g F 3.02394168 0.00018032 D1, D2, P, A, A/P, sn, gs, a, d : 6.08079E-07 -3.04040E-07 3.04040E-07 3.03841E-07 9.99347E-01 2.48056E-02 -6.08079E-07 9.99348E-01 2.48056E-02 f,g G 3.02394168 0.00000013 f,g F 3.02394168 0.00000013 D1, D2, P, A, A/P, sn, gs, a, d : 1.72315E-12 -8.61577E-13 8.61577E-13 8.63754E-13 1.00253E+00 3.52558E-04 -1.72315E-12 1.00253E+00 2.48056E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 3.02394168323415 nfev, nfghev: 2 2 Final value: 3.023942 After optimisation: 1 1.00000E-04 1.63740E+01 9.99900E+03 5.68463E-08 2 0.00000E+00 6.28191E+00 9.99000E+02 -7.70370E-08 3 1.00000E-04 9.22803E-01 9.99000E+02 8.74537E-08 4 0.00000E+00 2.66299E+01 9.99000E+02 7.96009E-10 5 0.00000E+00 4.02584E+01 9.99000E+02 -7.99532E-10 6 -9.99000E+02 -1.76172E+01 9.99000E+02 2.56492E-09 7 -9.99000E+02 5.00125E+00 9.99000E+02 -1.78117E-09 nvar, nfree, nbind: 7 7 0 Final model : 3.023942 8.77E-13 3 1 Laue 16.37396 1 0.00010 9999.00000 1 1 K_over T 16.37081 0.05168 6.28191 1 0.00000 999.00000 2 2 B_frag_imp T 6.28690 0.13093 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 0.92280 1 0.00010 999.00000 6 3 K_solv T 0.92280 0.01681 26.62991 1 0.00000 999.00000 7 4 B_solv T 26.60638 2.96120 1.0 -1 1.0 1.0 0 K_solv_imp F 40.25842 1 0.00000 999.00000 8 5 B_solv_imp T 40.25441 2.12583 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.61724 1 -999.00000 999.00000 10 6 B11_over T -17.62072 0.25884 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.00125 1 -999.00000 999.00000 12 7 B22_over T 5.00450 0.25129 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 12.61599 -1 -999.00000 999.00000 15 B33_over F 12.61622 0.00000