Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.50727 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 12.67704 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 0.97560 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.24144 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 33.43620 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 -17.16871 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 4.93496 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 12.23376 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.50727 12.67704 0.97560 27.24144 33.43620 -17.16871 4.93496 value: 3.12705120919939 0.125000000000000 8.571838988291449E-004 f,g S 3.12705121 0.00085718 f,g F 3.12703728 0.00085718 D1, D2, P, A, A/P, sn, gs, a, d : 2.79091E-05 -1.39546E-05 1.39546E-05 1.39330E-05 9.98453E-01 3.25830E-01 -2.79091E-05 9.98455E-01 1.25000E-01 f,g G 3.12703728 0.00000308 f,g F 3.12703728 0.00000308 D1, D2, P, A, A/P, sn, gs, a, d : 7.10169E-10 -3.55084E-10 3.55084E-10 3.55104E-10 1.00005E+00 1.58616E-03 -7.10169E-10 1.00005E+00 3.25327E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.12703727588036 nfev, nfghev: 2 2 Final value: 3.127037 After optimisation: 1 1.00000E-04 1.75445E+01 9.99900E+03 6.57869E-07 2 0.00000E+00 1.26364E+01 9.99000E+02 -1.02344E-06 3 1.00000E-04 9.76385E-01 9.99000E+02 2.83365E-06 4 0.00000E+00 2.72303E+01 9.99000E+02 3.51509E-08 5 0.00000E+00 3.37555E+01 9.99000E+02 -1.32553E-08 6 -9.99000E+02 -1.71691E+01 9.99000E+02 6.15494E-09 7 -9.99000E+02 4.92536E+00 9.99000E+02 -5.10607E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.127037 3.06E-10 3 1 Laue 17.54448 1 0.00010 9999.00000 1 1 K_over T 17.50727 0.06351 12.63638 1 0.00000 999.00000 2 2 B_frag_imp T 12.67704 0.21577 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 0.97638 1 0.00010 999.00000 6 3 K_solv T 0.97560 0.01893 27.23029 1 0.00000 999.00000 7 4 B_solv T 27.24144 3.49840 1.0 -1 1.0 1.0 0 K_solv_imp F 33.75551 1 0.00000 999.00000 8 5 B_solv_imp T 33.43620 2.80579 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.16911 1 -999.00000 999.00000 10 6 B11_over T -17.16871 0.29940 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.92536 1 -999.00000 999.00000 12 7 B22_over T 4.93496 0.29046 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 12.24375 -1 -999.00000 999.00000 15 B33_over F 12.23376 0.00000