Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.28791 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 13.14249 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 0.97271 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.49821 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 31.33781 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 -17.12390 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 4.96057 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 12.16332 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.28791 13.14249 0.97271 27.49821 31.33781 -17.12390 4.96057 value: 3.14130643496590 0.125000000000000 7.386859757602805E-004 f,g S 3.14130643 0.00073869 f,g F 3.14129507 0.00073869 D1, D2, P, A, A/P, sn, gs, a, d : 2.28260E-05 -1.14130E-05 1.14130E-05 1.13638E-05 9.95685E-01 2.84680E-01 -2.28260E-05 9.95703E-01 1.25000E-01 f,g G 3.14129507 0.00000550 f,g F 3.14129507 0.00000550 D1, D2, P, A, A/P, sn, gs, a, d : 1.78749E-09 -8.93747E-10 8.93747E-10 8.93850E-10 1.00012E+00 3.01757E-03 -1.78749E-09 1.00012E+00 2.83457E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.14129507029764 nfev, nfghev: 2 2 Final value: 3.141295 After optimisation: 1 1.00000E-04 1.73164E+01 9.99900E+03 1.30782E-06 2 0.00000E+00 1.30694E+01 9.99000E+02 -1.54344E-06 3 1.00000E-04 9.73001E-01 9.99000E+02 5.11197E-06 4 0.00000E+00 2.74727E+01 9.99000E+02 6.66458E-08 5 0.00000E+00 3.16078E+01 9.99000E+02 -1.41498E-08 6 -9.99000E+02 -1.71329E+01 9.99000E+02 -1.78545E-08 7 -9.99000E+02 4.95895E+00 9.99000E+02 -2.75746E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.141295 6.96E-10 3 1 Laue 17.31636 1 0.00010 9999.00000 1 1 K_over T 17.28791 0.06373 13.06936 1 0.00000 999.00000 2 2 B_frag_imp T 13.14249 0.22575 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 0.97300 1 0.00010 999.00000 6 3 K_solv T 0.97271 0.01861 27.47273 1 0.00000 999.00000 7 4 B_solv T 27.49821 3.53484 1.0 -1 1.0 1.0 0 K_solv_imp F 31.60778 1 0.00000 999.00000 8 5 B_solv_imp T 31.33781 2.81574 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.13287 1 -999.00000 999.00000 10 6 B11_over T -17.12390 0.30405 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.95895 1 -999.00000 999.00000 12 7 B22_over T 4.96057 0.29500 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 12.17393 -1 -999.00000 999.00000 15 B33_over F 12.16332 0.00000