Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.31636 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 13.06936 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 0.97300 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.47273 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 31.60778 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 -17.13287 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 4.95895 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 12.17393 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.31636 13.06936 0.97300 27.47273 31.60778 -17.13287 4.95895 value: 3.13982876457717 0.125000000000000 5.601110331135664E-004 f,g S 3.13982876 0.00056011 f,g F 3.13982248 0.00056011 D1, D2, P, A, A/P, sn, gs, a, d : 1.25972E-05 -6.29861E-06 6.29861E-06 6.28432E-06 9.97730E-01 2.12171E-01 -1.25972E-05 9.97736E-01 1.25000E-01 f,g G 3.13982248 0.00000238 f,g F 3.13982248 0.00000238 D1, D2, P, A, A/P, sn, gs, a, d : 3.44787E-10 -1.72393E-10 1.72393E-10 1.72411E-10 1.00010E+00 1.30327E-03 -3.44787E-10 1.00010E+00 2.11690E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.13982248008918 nfev, nfghev: 2 2 Final value: 3.139822 After optimisation: 1 1.00000E-04 1.73391E+01 9.99900E+03 5.72359E-07 2 0.00000E+00 1.30248E+01 9.99000E+02 -6.81504E-07 3 1.00000E-04 9.73298E-01 9.99000E+02 2.20270E-06 4 0.00000E+00 2.74635E+01 9.99000E+02 2.79427E-08 5 0.00000E+00 3.18125E+01 9.99000E+02 -6.40083E-09 6 -9.99000E+02 -1.71358E+01 9.99000E+02 -1.48943E-09 7 -9.99000E+02 4.95502E+00 9.99000E+02 -1.86123E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.139822 1.44E-10 3 1 Laue 17.33915 1 0.00010 9999.00000 1 1 K_over T 17.31636 0.06370 13.02476 1 0.00000 999.00000 2 2 B_frag_imp T 13.06936 0.22467 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 0.97330 1 0.00010 999.00000 6 3 K_solv T 0.97300 0.01864 27.46348 1 0.00000 999.00000 7 4 B_solv T 27.47273 3.53040 1.0 -1 1.0 1.0 0 K_solv_imp F 31.81248 1 0.00000 999.00000 8 5 B_solv_imp T 31.60778 2.81430 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.13576 1 -999.00000 999.00000 10 6 B11_over T -17.13287 0.30359 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.95502 1 -999.00000 999.00000 12 7 B22_over T 4.95895 0.29455 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 12.18074 -1 -999.00000 999.00000 15 B33_over F 12.17393 0.00000