Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.89220 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 6.40178 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 0.93178 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 29.06759 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 40.52061 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 -17.41505 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 4.93591 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 12.47914 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.89220 6.40178 0.93178 29.06759 40.52061 -17.41505 4.93591 value: 3.00016489016585 0.125000000000000 2.816120654217309E-004 f,g S 3.00016489 0.00028161 f,g F 3.00016365 0.00028161 D1, D2, P, A, A/P, sn, gs, a, d : 2.47303E-06 -1.23652E-06 1.23652E-06 1.23633E-06 9.99851E-01 2.51812E-02 -2.47303E-06 9.99851E-01 2.51812E-02 f,g G 3.00016365 0.00000038 f,g F 3.00016365 0.00000038 D1, D2, P, A, A/P, sn, gs, a, d : 3.36070E-12 -1.68035E-12 1.68035E-12 1.67466E-12 9.96614E-01 8.02202E-05 -3.36070E-12 9.96625E-01 2.51812E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 3.00016365383210 nfev, nfghev: 2 2 Final value: 3.000164 After optimisation: 1 1.00000E-04 1.69014E+01 9.99900E+03 2.33705E-08 2 0.00000E+00 6.39938E+00 9.99000E+02 -1.32343E-07 3 1.00000E-04 9.31834E-01 9.99000E+02 3.58067E-07 4 0.00000E+00 2.90716E+01 9.99000E+02 4.07448E-09 5 0.00000E+00 4.05433E+01 9.99000E+02 -1.70255E-09 6 -9.99000E+02 -1.74121E+01 9.99000E+02 5.90019E-09 7 -9.99000E+02 4.93420E+00 9.99000E+02 -7.99703E-10 nvar, nfree, nbind: 7 7 0 Final model : 3.000164 1.70E-12 3 1 Laue 16.90137 1 0.00010 9999.00000 1 1 K_over T 16.89220 0.05061 6.39938 1 0.00000 999.00000 2 2 B_frag_imp T 6.40178 0.12386 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 0.93183 1 0.00010 999.00000 6 3 K_solv T 0.93178 0.01677 29.07157 1 0.00000 999.00000 7 4 B_solv T 29.06759 2.95385 1.0 -1 1.0 1.0 0 K_solv_imp F 40.54335 1 0.00000 999.00000 8 5 B_solv_imp T 40.52061 2.13557 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.41207 1 -999.00000 999.00000 10 6 B11_over T -17.41505 0.25376 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.93420 1 -999.00000 999.00000 12 7 B22_over T 4.93591 0.24586 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 12.47787 -1 -999.00000 999.00000 15 B33_over F 12.47914 0.00000