Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.92975 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 14.09553 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 0.97007 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.50404 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 28.38616 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 -17.24099 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 5.11496 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 12.12603 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.92975 14.09553 0.97007 27.50404 28.38616 -17.24099 5.11496 value: 3.16929688138357 0.125000000000000 5.411800603795617E-004 f,g S 3.16929688 0.00054118 f,g F 3.16929044 0.00054118 D1, D2, P, A, A/P, sn, gs, a, d : 1.29199E-05 -6.45993E-06 6.45993E-06 6.44436E-06 9.97589E-01 1.58081E-01 -1.29199E-05 9.97595E-01 1.25000E-01 f,g G 3.16929044 0.00000197 f,g F 3.16929044 0.00000197 D1, D2, P, A, A/P, sn, gs, a, d : 4.14844E-10 -2.07422E-10 2.07422E-10 2.07442E-10 1.00010E+00 3.01019E-03 -4.14844E-10 1.00010E+00 1.57701E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.16929043682011 nfev, nfghev: 2 2 Final value: 3.169290 After optimisation: 1 1.00000E-04 1.69515E+01 9.99900E+03 6.20741E-07 2 0.00000E+00 1.40475E+01 9.99000E+02 -6.67766E-07 3 1.00000E-04 9.70331E-01 9.99000E+02 1.74864E-06 4 0.00000E+00 2.75330E+01 9.99000E+02 1.90775E-08 5 0.00000E+00 2.85282E+01 9.99000E+02 -8.43106E-09 6 -9.99000E+02 -1.72238E+01 9.99000E+02 3.73730E-08 7 -9.99000E+02 5.09933E+00 9.99000E+02 -2.41783E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.169290 2.07E-10 3 1 Laue 16.95149 1 0.00010 9999.00000 1 1 K_over T 16.92975 0.06470 14.04753 1 0.00000 999.00000 2 2 B_frag_imp T 14.09553 0.25012 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 0.97033 1 0.00010 999.00000 6 3 K_solv T 0.97007 0.01835 27.53298 1 0.00000 999.00000 7 4 B_solv T 27.50404 3.66626 1.0 -1 1.0 1.0 0 K_solv_imp F 28.52819 1 0.00000 999.00000 8 5 B_solv_imp T 28.38616 2.88889 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.22379 1 -999.00000 999.00000 10 6 B11_over T -17.24099 0.31241 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.09933 1 -999.00000 999.00000 12 7 B22_over T 5.11496 0.30353 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 12.12445 -1 -999.00000 999.00000 15 B33_over F 12.12603 0.00000