Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.25452 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.05785 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 0.92173 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.86129 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 45.19815 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 -17.88432 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 5.01492 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 12.86940 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.25452 4.05785 0.92173 30.86129 45.19815 -17.88432 5.01492 value: 2.89385361213863 0.125000000000000 4.400803137090769E-005 f,g S 2.89385361 0.00004401 f,g F 2.89385358 0.00004401 D1, D2, P, A, A/P, sn, gs, a, d : 6.15862E-08 -3.07931E-08 3.07931E-08 3.07877E-08 9.99826E-01 7.66425E-03 -6.15862E-08 9.99826E-01 7.66425E-03 f,g G 2.89385358 0.00000002 f,g F 2.89385358 0.00000002 D1, D2, P, A, A/P, sn, gs, a, d : 6.92767E-15 -3.46384E-15 3.46384E-15 -4.44089E-15 -1.28207E+00 6.47482E-06 -6.92767E-15 3.04685E-01 7.66425E-03 CONVERGENCE: FRTOL TEST SATISFIED value: 2.89385358135088 nfev, nfghev: 2 2 Final value: 2.893854 After optimisation: 1 1.00000E-04 1.72532E+01 9.99900E+03 -6.90804E-09 2 0.00000E+00 4.05700E+00 9.99000E+02 -7.46848E-09 3 1.00000E-04 9.21713E-01 9.99000E+02 1.39778E-08 4 0.00000E+00 3.08633E+01 9.99000E+02 1.34271E-10 5 0.00000E+00 4.51909E+01 9.99000E+02 -6.84783E-11 6 -9.99000E+02 -1.78841E+01 9.99000E+02 -3.83384E-11 7 -9.99000E+02 5.01498E+00 9.99000E+02 1.70085E-11 nvar, nfree, nbind: 7 7 0 Final model : 2.893854 1.73E-08 3 1 Laue 17.25319 1 0.00010 9999.00000 1 1 K_over T 17.25452 0.04408 4.05700 1 0.00000 999.00000 2 2 B_frag_imp T 4.05785 0.08493 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 0.92171 1 0.00010 999.00000 6 3 K_solv T 0.92173 0.01598 30.86328 1 0.00000 999.00000 7 4 B_solv T 30.86129 2.82446 1.0 -1 1.0 1.0 0 K_solv_imp F 45.19093 1 0.00000 999.00000 8 5 B_solv_imp T 45.19815 1.99044 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.88410 1 -999.00000 999.00000 10 6 B11_over T -17.88432 0.22061 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.01498 1 -999.00000 999.00000 12 7 B22_over T 5.01492 0.21349 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 12.86912 -1 -999.00000 999.00000 15 B33_over F 12.86940 0.00000