Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.91810 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 5.37269 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 0.93221 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 29.13962 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 41.77274 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 -17.38707 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 4.92700 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 12.46007 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.91810 5.37269 0.93221 29.13962 41.77274 -17.38707 4.92700 value: 2.96498125217105 0.125000000000000 3.301319543348525E-004 f,g S 2.96498125 0.00033013 f,g F 2.96497971 0.00033013 D1, D2, P, A, A/P, sn, gs, a, d : 3.08593E-06 -1.54297E-06 1.54297E-06 1.54365E-06 1.00044E+00 6.09626E-02 -3.08593E-06 1.00044E+00 6.09626E-02 f,g G 2.96497971 0.00000022 f,g F 2.96497971 0.00000022 D1, D2, P, A, A/P, sn, gs, a, d : 1.05415E-11 -5.27075E-12 5.27075E-12 5.27578E-12 1.00095E+00 9.79702E-04 -1.05415E-11 1.00096E+00 6.09896E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.96497970851632 nfev, nfghev: 2 2 Final value: 2.964980 After optimisation: 1 1.00000E-04 1.69279E+01 9.99900E+03 -1.22856E-07 2 0.00000E+00 5.37602E+00 9.99000E+02 -1.69967E-07 3 1.00000E-04 9.32323E-01 9.99000E+02 -4.88430E-08 4 0.00000E+00 2.91911E+01 9.99000E+02 -4.13634E-09 5 0.00000E+00 4.18047E+01 9.99000E+02 -2.75884E-09 6 -9.99000E+02 -1.73844E+01 9.99000E+02 2.99574E-09 7 -9.99000E+02 4.92431E+00 9.99000E+02 -2.23325E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.964980 7.42E-12 3 1 Laue 16.92789 1 0.00010 9999.00000 1 1 K_over T 16.91810 0.04800 5.37602 1 0.00000 999.00000 2 2 B_frag_imp T 5.37269 0.10748 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 0.93232 1 0.00010 999.00000 6 3 K_solv T 0.93221 0.01610 29.19107 1 0.00000 999.00000 7 4 B_solv T 29.13962 2.87019 1.0 -1 1.0 1.0 0 K_solv_imp F 41.80470 1 0.00000 999.00000 8 5 B_solv_imp T 41.77274 2.04875 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.38443 1 -999.00000 999.00000 10 6 B11_over T -17.38707 0.24256 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.92431 1 -999.00000 999.00000 12 7 B22_over T 4.92700 0.23467 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 12.46013 -1 -999.00000 999.00000 15 B33_over F 12.46007 0.00000