Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.33616 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 6.37650 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 0.92333 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 26.33241 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 40.14465 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 -17.66434 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 5.04355 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 12.62079 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.33616 6.37650 0.92333 26.33241 40.14465 -17.66434 5.04355 value: 3.09236644675514 0.125000000000000 4.889497632259576E-002 f,g S 3.09236645 0.04889498 f,g F 3.06101669 0.04889498 D1, D2, P, A, A/P, sn, gs, a, d : 3.96927E-02 -8.84836E-03 3.08443E-02 3.13498E-02 1.01639E+00 7.87369E+00 -3.96927E-02 2.37882E+00 1.25000E-01 f,g G 3.06101669 0.02837373 f,g F 3.03828535 0.02837373 D1, D2, P, A, A/P, sn, gs, a, d : 3.98727E-02 -1.99363E-02 1.99363E-02 2.27313E-02 1.14020E+00 3.62879E+00 -3.98727E-02 1.16306E+00 5.00000E-01 f,g G 3.03828535 0.00483783 f,g F 3.03614101 0.00483783 D1, D2, P, A, A/P, sn, gs, a, d : 3.88334E-03 -1.94167E-03 1.94167E-03 2.14434E-03 1.10438E+00 2.10249E+00 -3.88334E-03 1.11654E+00 2.00000E+00 f,g G 3.03614101 0.00082088 f,g F 3.03607236 0.00082088 D1, D2, P, A, A/P, sn, gs, a, d : 1.33772E-04 -6.68858E-05 6.68858E-05 6.86524E-05 1.02641E+00 3.37317E-01 -1.33772E-04 1.02713E+00 2.34752E+00 f,g G 3.03607236 0.00003755 f,g F 3.03607224 0.00003755 D1, D2, P, A, A/P, sn, gs, a, d : 2.27871E-07 -1.13936E-07 1.13936E-07 1.14070E-07 1.00118E+00 2.67360E-02 -2.27871E-07 1.00118E+00 2.34752E+00 f,g G 3.03607224 0.00000007 f,g F 3.03607224 0.00000007 D1, D2, P, A, A/P, sn, gs, a, d : 7.22055E-13 -3.61028E-13 3.61028E-13 3.61045E-13 1.00005E+00 5.32624E-05 -7.22055E-13 1.00005E+00 2.34752E+00 CONVERGENCE: FRTOL TEST SATISFIED value: 3.03607224365635 nfev, nfghev: 6 6 Final value: 3.036072 After optimisation: 1 1.00000E-04 1.78153E+01 9.99900E+03 4.92553E-10 2 0.00000E+00 9.82925E+00 9.99000E+02 -4.39339E-08 3 1.00000E-04 1.02628E+00 9.99000E+02 5.91878E-08 4 0.00000E+00 3.77478E+01 9.99000E+02 7.98476E-10 5 0.00000E+00 3.93915E+01 9.99000E+02 -1.54903E-10 6 -9.99000E+02 -1.69961E+01 9.99000E+02 -1.56250E-10 7 -9.99000E+02 4.85074E+00 9.99000E+02 1.13263E-10 nvar, nfree, nbind: 7 7 0 Final model : 3.036072 2.32E-13 3 1 Laue 17.81533 1 0.00010 9999.00000 1 1 K_over T 16.33616 0.05362 9.82925 1 0.00000 999.00000 2 2 B_frag_imp T 6.37650 0.14784 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 1.02628 1 0.00010 999.00000 6 3 K_solv T 0.92333 0.01926 37.74783 1 0.00000 999.00000 7 4 B_solv T 26.33241 3.50800 1.0 -1 1.0 1.0 0 K_solv_imp F 39.39149 1 0.00000 999.00000 8 5 B_solv_imp T 40.14465 2.66253 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -16.99607 1 -999.00000 999.00000 10 6 B11_over T -17.66434 0.27699 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.85074 1 -999.00000 999.00000 12 7 B22_over T 5.04355 0.26704 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 12.14533 -1 -999.00000 999.00000 15 B33_over F 12.62079 0.00000