Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.60488 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.54873 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 0.91833 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 29.94436 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 41.64494 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 -17.65438 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 5.04585 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 12.60853 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.60488 4.54873 0.91833 29.94436 41.64494 -17.65438 5.04585 value: 2.94280756103067 0.125000000000000 1.059531998806736E-004 f,g S 2.94280756 0.00010595 f,g F 2.94280747 0.00010595 D1, D2, P, A, A/P, sn, gs, a, d : 1.90005E-07 -9.50024E-08 9.50024E-08 9.49896E-08 9.99864E-01 1.35045E-02 -1.90005E-07 9.99865E-01 1.35045E-02 f,g G 2.94280747 0.00000002 f,g F 2.94280747 0.00000002 D1, D2, P, A, A/P, sn, gs, a, d : 8.83214E-14 -4.41607E-14 4.41607E-14 5.15143E-14 1.16652E+00 9.92197E-05 -8.83214E-14 1.19979E+00 1.35045E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.94280746604105 nfev, nfghev: 2 2 Final value: 2.942807 After optimisation: 1 1.00000E-04 1.66069E+01 9.99900E+03 1.07049E-08 2 0.00000E+00 4.54782E+00 9.99000E+02 -1.93560E-08 3 1.00000E-04 9.18366E-01 9.99000E+02 1.82445E-09 4 0.00000E+00 2.99575E+01 9.99000E+02 -1.07719E-10 5 0.00000E+00 4.16467E+01 9.99000E+02 -1.78094E-10 6 -9.99000E+02 -1.76530E+01 9.99000E+02 7.20293E-10 7 -9.99000E+02 5.04485E+00 9.99000E+02 -2.61095E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.942807 4.50E-14 3 1 Laue 16.60688 1 0.00010 9999.00000 1 1 K_over T 16.60488 0.04553 4.54782 1 0.00000 999.00000 2 2 B_frag_imp T 4.54873 0.09596 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 0.91837 1 0.00010 999.00000 6 3 K_solv T 0.91833 0.01587 29.95755 1 0.00000 999.00000 7 4 B_solv T 29.94436 2.88599 1.0 -1 1.0 1.0 0 K_solv_imp F 41.64673 1 0.00000 999.00000 8 5 B_solv_imp T 41.64494 1.96635 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.65304 1 -999.00000 999.00000 10 6 B11_over T -17.65438 0.23436 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.04485 1 -999.00000 999.00000 12 7 B22_over T 5.04585 0.22691 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 12.60819 -1 -999.00000 999.00000 15 B33_over F 12.60853 0.00000