Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.67094 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 8.40907 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 0.94613 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.60738 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 36.65252 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 -17.48747 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 4.97022 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 12.51725 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.67094 8.40907 0.94613 28.60738 36.65252 -17.48747 4.97022 value: 3.05940613739833 0.125000000000000 1.639096395644392E-003 f,g S 3.05940614 0.00163910 f,g F 3.05936505 0.00163910 D1, D2, P, A, A/P, sn, gs, a, d : 8.26088E-05 -4.13044E-05 4.13044E-05 4.10894E-05 9.94795E-01 2.67517E-01 -8.26088E-05 9.94822E-01 1.25000E-01 f,g G 3.05936505 0.00001545 f,g F 3.05936504 0.00001545 D1, D2, P, A, A/P, sn, gs, a, d : 1.32045E-08 -6.60226E-09 6.60226E-09 6.60350E-09 1.00019E+00 1.80005E-02 -1.32045E-08 1.00019E+00 2.66132E-01 f,g G 3.05936504 0.00000001 f,g F 3.05936504 0.00000001 D1, D2, P, A, A/P, sn, gs, a, d : 3.16193E-15 -1.58097E-15 1.58097E-15 2.22045E-15 1.40449E+00 1.68336E-05 -3.16193E-15 1.67922E+00 2.66132E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.05936504138785 nfev, nfghev: 3 3 Final value: 3.059365 After optimisation: 1 1.00000E-04 1.67204E+01 9.99900E+03 5.72747E-11 2 0.00000E+00 8.34735E+00 9.99000E+02 -2.52308E-09 3 1.00000E-04 9.46224E-01 9.99000E+02 7.64721E-09 4 0.00000E+00 2.87453E+01 9.99000E+02 1.47497E-10 5 0.00000E+00 3.68619E+01 9.99000E+02 -2.77636E-11 6 -9.99000E+02 -1.75074E+01 9.99000E+02 -1.17833E-11 7 -9.99000E+02 4.98063E+00 9.99000E+02 4.69937E-12 nvar, nfree, nbind: 7 7 0 Final model : 3.059365 1.94E-15 3 1 Laue 16.72041 1 0.00010 9999.00000 1 1 K_over T 16.67094 0.05483 8.34735 1 0.00000 999.00000 2 2 B_frag_imp T 8.40907 0.15619 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 0.94622 1 0.00010 999.00000 6 3 K_solv T 0.94613 0.01721 28.74531 1 0.00000 999.00000 7 4 B_solv T 28.60738 3.17973 1.0 -1 1.0 1.0 0 K_solv_imp F 36.86192 1 0.00000 999.00000 8 5 B_solv_imp T 36.65252 2.33296 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.50736 1 -999.00000 999.00000 10 6 B11_over T -17.48747 0.27320 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.98063 1 -999.00000 999.00000 12 7 B22_over T 4.97022 0.26550 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 12.52672 -1 -999.00000 999.00000 15 B33_over F 12.51725 0.00000