Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.06009 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.88972 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 0.90703 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 32.67586 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 39.81010 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 -17.91574 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 5.01359 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 12.90215 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.06009 3.88972 0.90703 32.67586 39.81010 -17.91574 5.01359 value: 2.88536805247621 0.125000000000000 1.989838237051898E-004 f,g S 2.88536805 0.00019898 f,g F 2.88536745 0.00019898 D1, D2, P, A, A/P, sn, gs, a, d : 1.21158E-06 -6.05790E-07 6.05790E-07 6.06175E-07 1.00064E+00 1.90216E-02 -1.21158E-06 1.00064E+00 1.90216E-02 f,g G 2.88536745 0.00000022 f,g F 2.88536745 0.00000022 D1, D2, P, A, A/P, sn, gs, a, d : 2.07127E-12 -1.03563E-12 1.03563E-12 1.02807E-12 9.92693E-01 7.04256E-05 -2.07127E-12 9.92746E-01 1.90336E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.88536744630017 nfev, nfghev: 2 2 Final value: 2.885367 After optimisation: 1 1.00000E-04 1.70657E+01 9.99900E+03 -1.19511E-07 2 0.00000E+00 3.89359E+00 9.99000E+02 -1.34195E-07 3 1.00000E-04 9.07130E-01 9.99000E+02 1.18084E-07 4 0.00000E+00 3.26934E+01 9.99000E+02 8.24314E-10 5 0.00000E+00 3.98070E+01 9.99000E+02 -1.39553E-09 6 -9.99000E+02 -1.79161E+01 9.99000E+02 -5.09033E-10 7 -9.99000E+02 5.01431E+00 9.99000E+02 6.04044E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.885367 1.07E-12 3 1 Laue 17.06567 1 0.00010 9999.00000 1 1 K_over T 17.06009 0.04254 3.89359 1 0.00000 999.00000 2 2 B_frag_imp T 3.88972 0.07931 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 0.90713 1 0.00010 999.00000 6 3 K_solv T 0.90703 0.01584 32.69340 1 0.00000 999.00000 7 4 B_solv T 32.67586 2.78154 1.0 -1 1.0 1.0 0 K_solv_imp F 39.80698 1 0.00000 999.00000 8 5 B_solv_imp T 39.81010 1.81386 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.91607 1 -999.00000 999.00000 10 6 B11_over T -17.91574 0.21899 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.01431 1 -999.00000 999.00000 12 7 B22_over T 5.01359 0.21189 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 12.90176 -1 -999.00000 999.00000 15 B33_over F 12.90215 0.00000