Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.13193 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 6.12054 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 0.93352 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.10691 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 41.38139 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 -17.41904 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 5.00700 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 12.41204 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.13193 6.12054 0.93352 28.10691 41.38139 -17.41904 5.00700 value: 2.98287360101746 0.125000000000000 2.199976272052789E-004 f,g S 2.98287360 0.00022000 f,g F 2.98287299 0.00022000 D1, D2, P, A, A/P, sn, gs, a, d : 1.21935E-06 -6.09677E-07 6.09677E-07 6.09597E-07 9.99869E-01 3.84389E-02 -1.21935E-06 9.99869E-01 3.84389E-02 f,g G 2.98287299 0.00000018 f,g F 2.98287299 0.00000018 D1, D2, P, A, A/P, sn, gs, a, d : 8.91453E-13 -4.45727E-13 4.45727E-13 4.46754E-13 1.00230E+00 2.55363E-05 -8.91453E-13 1.00231E+00 3.84389E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.98287299141981 nfev, nfghev: 2 2 Final value: 2.982873 After optimisation: 1 1.00000E-04 1.71384E+01 9.99900E+03 1.54968E-08 2 0.00000E+00 6.11857E+00 9.99000E+02 -7.18586E-08 3 1.00000E-04 9.33658E-01 9.99000E+02 1.63470E-07 4 0.00000E+00 2.81059E+01 9.99000E+02 2.09068E-09 5 0.00000E+00 4.14191E+01 9.99000E+02 -6.89261E-10 6 -9.99000E+02 -1.74214E+01 9.99000E+02 -5.40092E-10 7 -9.99000E+02 5.00788E+00 9.99000E+02 -5.73489E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.982873 5.73E-13 3 1 Laue 17.13843 1 0.00010 9999.00000 1 1 K_over T 17.13193 0.05058 6.11857 1 0.00000 999.00000 2 2 B_frag_imp T 6.12054 0.12080 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 0.93366 1 0.00010 999.00000 6 3 K_solv T 0.93352 0.01683 28.10593 1 0.00000 999.00000 7 4 B_solv T 28.10691 2.92268 1.0 -1 1.0 1.0 0 K_solv_imp F 41.41910 1 0.00000 999.00000 8 5 B_solv_imp T 41.38139 2.12564 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.42141 1 -999.00000 999.00000 10 6 B11_over T -17.41904 0.24808 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.00788 1 -999.00000 999.00000 12 7 B22_over T 5.00700 0.24032 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 12.41353 -1 -999.00000 999.00000 15 B33_over F 12.41204 0.00000