Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.11850 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.21897 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 0.92071 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 31.71212 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 44.31355 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 -17.82572 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 5.01992 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 12.80581 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.11850 4.21897 0.92071 31.71212 44.31355 -17.82572 5.01992 value: 2.90478666665889 0.125000000000000 7.248022247511796E-004 f,g S 2.90478667 0.00072480 f,g F 2.90477877 0.00072480 D1, D2, P, A, A/P, sn, gs, a, d : 1.57607E-05 -7.88037E-06 7.88037E-06 7.89202E-06 1.00148E+00 1.28031E-01 -1.57607E-05 1.00148E+00 1.25000E-01 f,g G 2.90477877 0.00000256 f,g F 2.90477877 0.00000256 D1, D2, P, A, A/P, sn, gs, a, d : 2.19825E-10 -1.09912E-10 1.09912E-10 1.09902E-10 9.99909E-01 8.23935E-04 -2.19825E-10 9.99909E-01 1.28221E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 2.90477877453263 nfev, nfghev: 2 2 Final value: 2.904779 After optimisation: 1 1.00000E-04 1.71402E+01 9.99900E+03 -1.07029E-06 2 0.00000E+00 4.22716E+00 9.99000E+02 -1.32646E-06 3 1.00000E-04 9.20938E-01 9.99000E+02 1.91031E-06 4 0.00000E+00 3.17455E+01 9.99000E+02 1.18593E-08 5 0.00000E+00 4.44354E+01 9.99000E+02 -1.57872E-08 6 -9.99000E+02 -1.78275E+01 9.99000E+02 -1.94067E-09 7 -9.99000E+02 5.01847E+00 9.99000E+02 -4.80537E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.904779 1.17E-10 3 1 Laue 17.14019 1 0.00010 9999.00000 1 1 K_over T 17.11850 0.04427 4.22716 1 0.00000 999.00000 2 2 B_frag_imp T 4.21897 0.08691 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 0.92094 1 0.00010 999.00000 6 3 K_solv T 0.92071 0.01606 31.74553 1 0.00000 999.00000 7 4 B_solv T 31.71212 2.88247 1.0 -1 1.0 1.0 0 K_solv_imp F 44.43539 1 0.00000 999.00000 8 5 B_solv_imp T 44.31355 1.99982 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.82755 1 -999.00000 999.00000 10 6 B11_over T -17.82572 0.22373 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.01847 1 -999.00000 999.00000 12 7 B22_over T 5.01992 0.21659 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 12.80908 -1 -999.00000 999.00000 15 B33_over F 12.80581 0.00000