Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.99940 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 13.85907 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 0.97017 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.54820 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 28.93223 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 -17.20064 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 5.07099 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 12.12965 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.99940 13.85907 0.97017 27.54820 28.93223 -17.20064 5.07099 value: 3.16312771464145 0.125000000000000 5.593486119908603E-004 f,g S 3.16312771 0.00055935 f,g F 3.16312079 0.00055935 D1, D2, P, A, A/P, sn, gs, a, d : 1.38779E-05 -6.93897E-06 6.93897E-06 6.92173E-06 9.97516E-01 1.87772E-01 -1.38779E-05 9.97522E-01 1.25000E-01 f,g G 3.16312079 0.00000242 f,g F 3.16312079 0.00000242 D1, D2, P, A, A/P, sn, gs, a, d : 4.55486E-10 -2.27743E-10 2.27743E-10 2.27748E-10 1.00002E+00 2.14111E-03 -4.55486E-10 1.00002E+00 1.87307E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.16312079268235 nfev, nfghev: 2 2 Final value: 3.163121 After optimisation: 1 1.00000E-04 1.70223E+01 9.99900E+03 6.56851E-07 2 0.00000E+00 1.38096E+01 9.99000E+02 -7.23061E-07 3 1.00000E-04 9.70372E-01 9.99000E+02 2.21399E-06 4 0.00000E+00 2.75617E+01 9.99000E+02 2.55748E-08 5 0.00000E+00 2.91077E+01 9.99000E+02 -8.03133E-09 6 -9.99000E+02 -1.71826E+01 9.99000E+02 4.16862E-08 7 -9.99000E+02 5.05494E+00 9.99000E+02 -2.56430E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.163121 2.21E-10 3 1 Laue 17.02231 1 0.00010 9999.00000 1 1 K_over T 16.99940 0.06442 13.80965 1 0.00000 999.00000 2 2 B_frag_imp T 13.85907 0.24410 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 0.97037 1 0.00010 999.00000 6 3 K_solv T 0.97017 0.01837 27.56166 1 0.00000 999.00000 7 4 B_solv T 27.54820 3.63031 1.0 -1 1.0 1.0 0 K_solv_imp F 29.10771 1 0.00000 999.00000 8 5 B_solv_imp T 28.93223 2.86556 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.18262 1 -999.00000 999.00000 10 6 B11_over T -17.20064 0.31061 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.05494 1 -999.00000 999.00000 12 7 B22_over T 5.07099 0.30165 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 12.12769 -1 -999.00000 999.00000 15 B33_over F 12.12965 0.00000