Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.78116 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 5.30381 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 0.93019 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.39969 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 41.38569 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 -17.41239 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 4.94844 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 12.46395 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.78116 5.30381 0.93019 28.39969 41.38569 -17.41239 4.94844 value: 2.96849840598099 0.125000000000000 4.101941124505518E-004 f,g S 2.96849841 0.00041019 f,g F 2.96849626 0.00041019 D1, D2, P, A, A/P, sn, gs, a, d : 4.29576E-06 -2.14788E-06 2.14788E-06 2.14842E-06 1.00025E+00 7.32715E-02 -4.29576E-06 1.00025E+00 7.32715E-02 f,g G 2.96849626 0.00000026 f,g F 2.96849626 0.00000026 D1, D2, P, A, A/P, sn, gs, a, d : 2.03990E-11 -1.01995E-11 1.01995E-11 1.01945E-11 9.99510E-01 1.43553E-03 -2.03990E-11 9.99511E-01 7.32897E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.96849625755498 nfev, nfghev: 2 2 Final value: 2.968496 After optimisation: 1 1.00000E-04 1.67926E+01 9.99900E+03 -7.71763E-08 2 0.00000E+00 5.30529E+00 9.99000E+02 -2.43977E-07 3 1.00000E-04 9.30304E-01 9.99000E+02 -6.38269E-09 4 0.00000E+00 2.84562E+01 9.99000E+02 -4.79219E-09 5 0.00000E+00 4.14315E+01 9.99000E+02 -3.62241E-09 6 -9.99000E+02 -1.74087E+01 9.99000E+02 5.07327E-09 7 -9.99000E+02 4.94334E+00 9.99000E+02 -7.33395E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.968496 1.41E-11 3 1 Laue 16.79255 1 0.00010 9999.00000 1 1 K_over T 16.78116 0.04804 5.30529 1 0.00000 999.00000 2 2 B_frag_imp T 5.30381 0.10813 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 0.93030 1 0.00010 999.00000 6 3 K_solv T 0.93019 0.01598 28.45624 1 0.00000 999.00000 7 4 B_solv T 28.39969 2.83823 1.0 -1 1.0 1.0 0 K_solv_imp F 41.43148 1 0.00000 999.00000 8 5 B_solv_imp T 41.38569 2.02777 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.40868 1 -999.00000 999.00000 10 6 B11_over T -17.41239 0.24329 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.94334 1 -999.00000 999.00000 12 7 B22_over T 4.94844 0.23542 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 12.46534 -1 -999.00000 999.00000 15 B33_over F 12.46395 0.00000