Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.77861 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 12.09665 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 0.97940 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 26.74002 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 36.52872 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 -17.23336 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 4.86114 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 12.37222 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.77861 12.09665 0.97940 26.74002 36.52872 -17.23336 4.86114 value: 3.11152287869332 0.125000000000000 1.883366165995737E-004 f,g S 3.11152288 0.00018834 f,g F 3.11152227 0.00018834 D1, D2, P, A, A/P, sn, gs, a, d : 1.22142E-06 -6.10711E-07 6.10711E-07 6.10324E-07 9.99367E-01 9.12725E-02 -1.22142E-06 9.99368E-01 9.12725E-02 f,g G 3.11152227 0.00000023 f,g F 3.11152227 0.00000023 D1, D2, P, A, A/P, sn, gs, a, d : 2.89928E-12 -1.44964E-12 1.44964E-12 1.44684E-12 9.98069E-01 2.08417E-04 -2.89928E-12 9.98073E-01 9.12725E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 3.11152226836744 nfev, nfghev: 2 2 Final value: 3.111522 After optimisation: 1 1.00000E-04 1.77861E+01 9.99900E+03 5.30943E-08 2 0.00000E+00 1.20841E+01 9.99000E+02 -6.59329E-08 3 1.00000E-04 9.79551E-01 9.99000E+02 2.15164E-07 4 0.00000E+00 2.67261E+01 9.99000E+02 3.29634E-09 5 0.00000E+00 3.66177E+01 9.99000E+02 -6.70480E-10 6 -9.99000E+02 -1.72349E+01 9.99000E+02 -1.24704E-09 7 -9.99000E+02 4.85914E+00 9.99000E+02 -3.12764E-09 nvar, nfree, nbind: 7 7 0 Final model : 3.111522 5.63E-13 3 1 Laue 17.78605 1 0.00010 9999.00000 1 1 K_over T 17.77861 0.06333 12.08412 1 0.00000 999.00000 2 2 B_frag_imp T 12.09665 0.20546 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 0.97955 1 0.00010 999.00000 6 3 K_solv T 0.97940 0.01935 26.72606 1 0.00000 999.00000 7 4 B_solv T 26.74002 3.47105 1.0 -1 1.0 1.0 0 K_solv_imp F 36.61772 1 0.00000 999.00000 8 5 B_solv_imp T 36.52872 2.79889 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.23489 1 -999.00000 999.00000 10 6 B11_over T -17.23336 0.29379 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.85914 1 -999.00000 999.00000 12 7 B22_over T 4.86114 0.28505 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 12.37575 -1 -999.00000 999.00000 15 B33_over F 12.37222 0.00000