Details of MaxLik refinement

Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.62990 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 2.55997 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 0.87847 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 33.61140 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 25.43967 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 -17.95647 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 5.00636 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 12.95011 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.62990 2.55997 0.87847 33.61140 25.43967 -17.95647 5.00636 value: 3.27517132655941 0.125000000000000 0.235571720370210 f,g S 3.27517133 0.23557172 f,g F 3.22026939 0.23557172 D1, D2, P, A, A/P, sn, gs, a, d : 6.25499E-02 -8.30229E-03 5.42476E-02 5.49019E-02 1.01206E+00 3.52055E+00 -6.25499E-02 4.08931E+00 1.25000E-01 f,g G 3.22026939 0.17187806 f,g F 3.54295637 0.17187806 D1, D2, P, A, A/P, sn, gs, a, d : 1.50737E-01 2.87763E-03 1.53614E-01 -3.22687E-01 -2.10063E+00 4.13763E+01 -1.50737E-01 2.50000E-01 5.00000E-01 f,g F 3.12948181 0.17187806 D1, D2, P, A, A/P, sn, gs, a, d : 1.27719E-01 -4.71271E-02 8.05919E-02 9.07876E-02 1.12651E+00 5.35109E+00 -1.27719E-01 1.72913E+00 2.50000E-01 f,g G 3.12948181 0.07039483 f,g F 3.18957917 0.07039483 D1, D2, P, A, A/P, sn, gs, a, d : 3.06815E-01 7.55925E-02 3.82408E-01 -6.00974E-02 -1.57155E-01 1.23530E+02 -3.06815E-01 4.18104E-01 1.00000E+00 f,g F 3.07473180 0.07039483 D1, D2, P, A, A/P, sn, gs, a, d : 1.57639E-01 -5.99573E-02 9.76821E-02 5.47500E-02 5.60492E-01 3.65223E+01 -1.57639E-01 7.66063E-01 5.00000E-01 f,g G 3.07473180 0.10490585 f,g F 3.24933322 0.10490585 D1, D2, P, A, A/P, sn, gs, a, d : 9.55437E-02 -4.69154E-02 4.86283E-02 -1.74601E-01 -3.59053E+00 5.97580E+01 -9.55437E-02 2.50000E-01 2.00000E+00 f,g F 3.24933322 0.10490585 D1, D2, P, A, A/P, sn, gs, a, d : 9.55437E-02 -4.69154E-02 4.86283E-02 -1.74601E-01 -3.59053E+00 5.97580E+01 -9.55437E-02 2.50000E-01 1.00000E+00 OPTIMIZER: Predicting identical change: recomputing... D1, D2, P, A, A/P, sn, gs, a, d : 9.55437E-02 -4.69154E-02 4.86283E-02 -1.74601E-01 -3.59053E+00 5.97580E+01 -9.55437E-02 2.50000E-01 5.00000E-01 OPTIMIZER: Predicting identical change: recomputing... D1, D2, P, A, A/P, sn, gs, a, d : 2.43954E-02 -2.93919E-03 2.14563E-02 -1.74601E-01 -8.13755E+00 6.02006E+01 -2.43954E-02 2.50000E-01 2.50000E-01 f,g F 3.06018102 0.10490585 D1, D2, P, A, A/P, sn, gs, a, d : 2.43954E-02 -2.93919E-03 2.14563E-02 1.45508E-02 6.78160E-01 6.02006E+01 -2.43954E-02 1.23902E+00 1.25000E-01 f,g G 3.06018102 0.05421490 OPTIMIZER: Predicting identical change: recomputing... D1, D2, P, A, A/P, sn, gs, a, d : 3.48556E-02 -1.74278E-02 1.74278E-02 3.06018E+00 1.75592E+02 2.20727E+01 -3.48556E-02 4.00000E+00 5.00000E-01 f,g G 3.04334606 0.02470299 f,g F 3.04132819 0.02470299 D1, D2, P, A, A/P, sn, gs, a, d : 3.61836E-03 -1.80918E-03 1.80918E-03 2.01787E-03 1.11535E+00 4.80495E+00 -3.61836E-03 1.13039E+00 2.00000E+00 f,g G 3.04132819 0.00280021 f,g F 3.04119829 0.00280021 D1, D2, P, A, A/P, sn, gs, a, d : 2.43140E-04 -1.21570E-04 1.21570E-04 1.29901E-04 1.06853E+00 2.94396E+00 -2.43140E-04 1.07357E+00 5.43148E+00 f,g G 3.04119829 0.00028781 f,g F 3.04119672 0.00028781 D1, D2, P, A, A/P, sn, gs, a, d : 3.09817E-06 -1.54909E-06 1.54909E-06 1.56315E-06 1.00908E+00 3.70973E-01 -3.09817E-06 1.00916E+00 5.43148E+00 f,g G 3.04119672 0.00000401 f,g F 3.04119672 0.00000401 D1, D2, P, A, A/P, sn, gs, a, d : 5.88502E-10 -2.94251E-10 2.94251E-10 2.94289E-10 1.00013E+00 5.28565E-03 -5.88502E-10 1.00013E+00 5.43148E+00 CONVERGENCE: FRTOL TEST SATISFIED value: 3.04119672275165 nfev, nfghev: 12 9 Final value: 3.041197 After optimisation: 1 1.00000E-04 1.77438E+01 9.99900E+03 3.93985E-07 2 0.00000E+00 8.36772E+00 9.99000E+02 -3.63406E-07 3 1.00000E-04 9.88578E-01 9.99000E+02 -3.97043E-06 4 0.00000E+00 2.38653E+01 9.99000E+02 -4.39745E-08 5 0.00000E+00 2.95378E+01 9.99000E+02 -1.08669E-07 6 -9.99000E+02 -1.79000E+01 9.99000E+02 4.43053E-10 7 -9.99000E+02 5.07538E+00 9.99000E+02 -2.73568E-10 nvar, nfree, nbind: 7 7 0 Final model : 3.041197 7.98E-10 3 1 Laue 17.74383 1 0.00010 9999.00000 1 1 K_over T 16.62990 0.05461 8.36772 1 0.00000 999.00000 2 2 B_frag_imp T 2.55997 0.14570 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 0.98858 1 0.00010 999.00000 6 3 K_solv T 0.87847 0.01678 23.86530 1 0.00000 999.00000 7 4 B_solv T 33.61140 3.07983 1.0 -1 1.0 1.0 0 K_solv_imp F 29.53782 1 0.00000 999.00000 8 5 B_solv_imp T 25.43967 2.07102 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.90000 1 -999.00000 999.00000 10 6 B11_over T -17.95647 0.26776 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.07538 1 -999.00000 999.00000 12 7 B22_over T 5.00636 0.26005 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 12.82462 -1 -999.00000 999.00000 15 B33_over F 12.95011 0.00000