Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.26141 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.05730 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 0.92208 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.85189 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 45.13410 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 -17.88226 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 5.01126 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 12.87099 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.26141 4.05730 0.92208 30.85189 45.13410 -17.88226 5.01126 value: 2.89339456763834 0.125000000000000 1.892875690375186E-004 f,g S 2.89339457 0.00018929 f,g F 2.89339397 0.00018929 D1, D2, P, A, A/P, sn, gs, a, d : 1.19222E-06 -5.96111E-07 5.96111E-07 5.95656E-07 9.99237E-01 2.35512E-02 -1.19222E-06 9.99238E-01 2.35512E-02 f,g G 2.89339397 0.00000027 f,g F 2.89339397 0.00000027 D1, D2, P, A, A/P, sn, gs, a, d : 2.59343E-12 -1.29672E-12 1.29672E-12 1.30518E-12 1.00653E+00 4.46833E-05 -2.59343E-12 1.00657E+00 2.35512E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.89339397198100 nfev, nfghev: 2 2 Final value: 2.893394 After optimisation: 1 1.00000E-04 1.72557E+01 9.99900E+03 -1.30219E-07 2 0.00000E+00 4.05305E+00 9.99000E+02 -1.47156E-07 3 1.00000E-04 9.22012E-01 9.99000E+02 1.90713E-07 4 0.00000E+00 3.08423E+01 9.99000E+02 1.61667E-09 5 0.00000E+00 4.51139E+01 9.99000E+02 -1.40502E-09 6 -9.99000E+02 -1.78827E+01 9.99000E+02 -6.62591E-10 7 -9.99000E+02 5.01198E+00 9.99000E+02 4.45615E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.893394 1.44E-12 3 1 Laue 17.25575 1 0.00010 9999.00000 1 1 K_over T 17.26141 0.04405 4.05305 1 0.00000 999.00000 2 2 B_frag_imp T 4.05730 0.08485 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 0.92201 1 0.00010 999.00000 6 3 K_solv T 0.92208 0.01596 30.84227 1 0.00000 999.00000 7 4 B_solv T 30.85189 2.82010 1.0 -1 1.0 1.0 0 K_solv_imp F 45.11388 1 0.00000 999.00000 8 5 B_solv_imp T 45.13410 1.98722 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.88273 1 -999.00000 999.00000 10 6 B11_over T -17.88226 0.22051 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.01198 1 -999.00000 999.00000 12 7 B22_over T 5.01126 0.21340 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 12.87074 -1 -999.00000 999.00000 15 B33_over F 12.87099 0.00000