Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.81607 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.80153 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 0.91316 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.32249 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 44.00648 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 -17.91360 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 5.06900 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 12.84460 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.81607 3.80153 0.91316 30.32249 44.00648 -17.91360 5.06900 value: 2.89743101008183 0.125000000000000 1.335440748739820E-004 f,g S 2.89743101 0.00013354 f,g F 2.89743075 0.00013354 D1, D2, P, A, A/P, sn, gs, a, d : 5.18706E-07 -2.59353E-07 2.59353E-07 2.59449E-07 1.00037E+00 1.38793E-02 -5.18706E-07 1.00037E+00 1.38793E-02 f,g G 2.89743075 0.00000009 f,g F 2.89743075 0.00000009 D1, D2, P, A, A/P, sn, gs, a, d : 3.36051E-13 -1.68026E-13 1.68026E-13 1.65645E-13 9.85833E-01 3.77006E-05 -3.36051E-13 9.86031E-01 1.38844E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.89743075063264 nfev, nfghev: 2 2 Final value: 2.897431 After optimisation: 1 1.00000E-04 1.68198E+01 9.99900E+03 -4.66895E-08 2 0.00000E+00 3.80366E+00 9.99000E+02 -5.33179E-08 3 1.00000E-04 9.13266E-01 9.99000E+02 4.97367E-08 4 0.00000E+00 3.03286E+01 9.99000E+02 3.54707E-10 5 0.00000E+00 4.40181E+01 9.99000E+02 -5.71884E-10 6 -9.99000E+02 -1.79127E+01 9.99000E+02 -8.55778E-11 7 -9.99000E+02 5.06774E+00 9.99000E+02 -1.19852E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.897431 1.81E-13 3 1 Laue 16.81982 1 0.00010 9999.00000 1 1 K_over T 16.81607 0.04337 3.80366 1 0.00000 999.00000 2 2 B_frag_imp T 3.80153 0.08362 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 0.91327 1 0.00010 999.00000 6 3 K_solv T 0.91316 0.01584 30.32862 1 0.00000 999.00000 7 4 B_solv T 30.32249 2.81126 1.0 -1 1.0 1.0 0 K_solv_imp F 44.01807 1 0.00000 999.00000 8 5 B_solv_imp T 44.00648 1.93101 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.91270 1 -999.00000 999.00000 10 6 B11_over T -17.91360 0.22064 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.06774 1 -999.00000 999.00000 12 7 B22_over T 5.06900 0.21352 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 12.84496 -1 -999.00000 999.00000 15 B33_over F 12.84460 0.00000