Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.85557 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.61702 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 0.92503 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.81775 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 42.20545 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 -17.59391 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 4.99747 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 12.59644 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.85557 4.61702 0.92503 30.81775 42.20545 -17.59391 4.99747 value: 2.93345617945901 0.125000000000000 6.976633683529777E-005 f,g S 2.93345618 0.00006977 f,g F 2.93345612 0.00006977 D1, D2, P, A, A/P, sn, gs, a, d : 1.21380E-07 -6.06900E-08 6.06900E-08 6.06913E-08 1.00002E+00 1.19339E-02 -1.21380E-07 1.00002E+00 1.19339E-02 f,g G 2.93345612 0.00000001 f,g F 2.93345612 0.00000001 D1, D2, P, A, A/P, sn, gs, a, d : 1.36628E-14 -6.83139E-15 6.83139E-15 -4.44089E-16 -6.50072E-02 3.28722E-05 -1.36628E-14 4.84260E-01 1.19342E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.93345611876768 nfev, nfghev: 2 2 Final value: 2.933456 After optimisation: 1 1.00000E-04 1.68574E+01 9.99900E+03 -1.43872E-09 2 0.00000E+00 4.61713E+00 9.99000E+02 -8.34030E-09 3 1.00000E-04 9.25050E-01 9.99000E+02 4.44571E-09 4 0.00000E+00 3.08258E+01 9.99000E+02 -5.40827E-11 5 0.00000E+00 4.22140E+01 9.99000E+02 -9.74474E-11 6 -9.99000E+02 -1.75936E+01 9.99000E+02 -3.89337E-11 7 -9.99000E+02 4.99603E+00 9.99000E+02 -4.97035E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.933456 9.57E-09 3 1 Laue 16.85742 1 0.00010 9999.00000 1 1 K_over T 16.85557 0.04529 4.61713 1 0.00000 999.00000 2 2 B_frag_imp T 4.61702 0.09386 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 0.92505 1 0.00010 999.00000 6 3 K_solv T 0.92503 0.01595 30.82578 1 0.00000 999.00000 7 4 B_solv T 30.81775 2.86782 1.0 -1 1.0 1.0 0 K_solv_imp F 42.21396 1 0.00000 999.00000 8 5 B_solv_imp T 42.20545 1.97751 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.59363 1 -999.00000 999.00000 10 6 B11_over T -17.59391 0.23255 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.99603 1 -999.00000 999.00000 12 7 B22_over T 4.99747 0.22508 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 12.59760 -1 -999.00000 999.00000 15 B33_over F 12.59644 0.00000