Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.67986 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 2.72784 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 0.87793 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 35.58238 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 24.33852 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 -17.90808 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 4.91770 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 12.99038 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.67986 2.72784 0.87793 35.58238 24.33852 -17.90808 4.91770 value: 2.77940811738957 0.125000000000000 2.362589621213362E-004 f,g S 2.77940812 0.00023626 f,g F 2.77940772 0.00023626 D1, D2, P, A, A/P, sn, gs, a, d : 7.98024E-07 -3.99012E-07 3.99012E-07 3.98816E-07 9.99507E-01 6.45240E-02 -7.98024E-07 9.99507E-01 6.45240E-02 f,g G 2.77940772 0.00000033 f,g F 2.77940772 0.00000033 D1, D2, P, A, A/P, sn, gs, a, d : 2.46614E-12 -1.23307E-12 1.23307E-12 1.24079E-12 1.00626E+00 2.81189E-04 -2.46614E-12 1.00630E+00 6.45240E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.77940771857275 nfev, nfghev: 2 2 Final value: 2.779408 After optimisation: 1 1.00000E-04 1.66832E+01 9.99900E+03 9.58521E-08 2 0.00000E+00 2.72478E+00 9.99000E+02 -2.15222E-07 3 1.00000E-04 8.78041E-01 9.99000E+02 2.24672E-07 4 0.00000E+00 3.55609E+01 9.99000E+02 5.68251E-09 5 0.00000E+00 2.43994E+01 9.99000E+02 -5.09637E-09 6 -9.99000E+02 -1.79060E+01 9.99000E+02 6.35921E-09 7 -9.99000E+02 4.91772E+00 9.99000E+02 2.03065E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.779408 2.83E-12 3 1 Laue 16.68323 1 0.00010 9999.00000 1 1 K_over T 16.67986 0.03475 2.72478 1 0.00000 999.00000 2 2 B_frag_imp T 2.72784 0.05157 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 0.87804 1 0.00010 999.00000 6 3 K_solv T 0.87793 0.01260 35.56091 1 0.00000 999.00000 7 4 B_solv T 35.58238 2.04832 1.0 -1 1.0 1.0 0 K_solv_imp F 24.39936 1 0.00000 999.00000 8 5 B_solv_imp T 24.33852 1.12549 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.90595 1 -999.00000 999.00000 10 6 B11_over T -17.90808 0.19461 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.91772 1 -999.00000 999.00000 12 7 B22_over T 4.91770 0.18696 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 12.98824 -1 -999.00000 999.00000 15 B33_over F 12.99038 0.00000