Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.79524 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.72506 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 0.90171 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 31.94136 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 39.78949 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 -17.92041 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 5.02383 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 12.89658 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.79524 3.72506 0.90171 31.94136 39.78949 -17.92041 5.02383 value: 2.88804758057559 0.125000000000000 1.412339453990279E-004 f,g S 2.88804758 0.00014123 f,g F 2.88804729 0.00014123 D1, D2, P, A, A/P, sn, gs, a, d : 5.77660E-07 -2.88830E-07 2.88830E-07 2.88946E-07 1.00040E+00 1.67062E-02 -5.77660E-07 1.00040E+00 1.67062E-02 f,g G 2.88804729 0.00000009 f,g F 2.88804729 0.00000009 D1, D2, P, A, A/P, sn, gs, a, d : 4.50711E-13 -2.25355E-13 2.25355E-13 2.23377E-13 9.91221E-01 8.19896E-05 -4.50711E-13 9.91297E-01 1.67130E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.88804729162900 nfev, nfghev: 2 2 Final value: 2.888047 After optimisation: 1 1.00000E-04 1.67990E+01 9.99900E+03 -5.30820E-08 2 0.00000E+00 3.72760E+00 9.99000E+02 -6.06927E-08 3 1.00000E-04 9.01810E-01 9.99000E+02 2.83299E-08 4 0.00000E+00 3.19569E+01 9.99000E+02 -7.39568E-12 5 0.00000E+00 3.97866E+01 9.99000E+02 -7.02676E-10 6 -9.99000E+02 -1.79180E+01 9.99000E+02 -2.91228E-11 7 -9.99000E+02 5.02192E+00 9.99000E+02 -2.68366E-11 nvar, nfree, nbind: 7 7 0 Final model : 2.888047 1.81E-13 3 1 Laue 16.79900 1 0.00010 9999.00000 1 1 K_over T 16.79524 0.04236 3.72760 1 0.00000 999.00000 2 2 B_frag_imp T 3.72506 0.07925 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 0.90181 1 0.00010 999.00000 6 3 K_solv T 0.90171 0.01603 31.95695 1 0.00000 999.00000 7 4 B_solv T 31.94136 2.81063 1.0 -1 1.0 1.0 0 K_solv_imp F 39.78661 1 0.00000 999.00000 8 5 B_solv_imp T 39.78949 1.79899 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.91796 1 -999.00000 999.00000 10 6 B11_over T -17.92041 0.21890 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.02192 1 -999.00000 999.00000 12 7 B22_over T 5.02383 0.21172 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 12.89604 -1 -999.00000 999.00000 15 B33_over F 12.89658 0.00000