Details of MaxLik refinement

Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.32512 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 8.98707 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 0.94637 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 26.60316 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 35.86155 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 -17.40099 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 4.89823 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 12.50276 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.32512 8.98707 0.94637 26.60316 35.86155 -17.40099 4.89823 value: 3.09026269259591 0.125000000000000 3.605072899791670E-004 f,g S 3.09026269 0.00036051 f,g F 3.09026111 0.00036051 D1, D2, P, A, A/P, sn, gs, a, d : 3.17174E-06 -1.58587E-06 1.58587E-06 1.58523E-06 9.99599E-01 6.34647E-02 -3.17174E-06 9.99599E-01 6.34647E-02 f,g G 3.09026111 0.00000028 f,g F 3.09026111 0.00000028 D1, D2, P, A, A/P, sn, gs, a, d : 3.09073E-11 -1.54537E-11 1.54537E-11 1.54543E-11 1.00004E+00 2.36717E-03 -3.09073E-11 1.00004E+00 6.34647E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 3.09026110734872 nfev, nfghev: 2 2 Final value: 3.090261 After optimisation: 1 1.00000E-04 1.63348E+01 9.99900E+03 1.07997E-07 2 0.00000E+00 8.97952E+00 9.99000E+02 -1.63735E-07 3 1.00000E-04 9.46619E-01 9.99000E+02 -1.96799E-07 4 0.00000E+00 2.66673E+01 9.99000E+02 -5.38975E-09 5 0.00000E+00 3.58638E+01 9.99000E+02 -2.66532E-09 6 -9.99000E+02 -1.74022E+01 9.99000E+02 2.16828E-09 7 -9.99000E+02 4.89894E+00 9.99000E+02 -3.22733E-10 nvar, nfree, nbind: 7 7 0 Final model : 3.090261 2.99E-11 3 1 Laue 16.33479 1 0.00010 9999.00000 1 1 K_over T 16.32512 0.05714 8.97952 1 0.00000 999.00000 2 2 B_frag_imp T 8.98707 0.17472 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 0.94662 1 0.00010 999.00000 6 3 K_solv T 0.94637 0.01716 26.66734 1 0.00000 999.00000 7 4 B_solv T 26.60316 3.25492 1.0 -1 1.0 1.0 0 K_solv_imp F 35.86384 1 0.00000 999.00000 8 5 B_solv_imp T 35.86155 2.40895 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.40218 1 -999.00000 999.00000 10 6 B11_over T -17.40099 0.28386 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.89894 1 -999.00000 999.00000 12 7 B22_over T 4.89823 0.27559 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 12.50324 -1 -999.00000 999.00000 15 B33_over F 12.50276 0.00000