Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.65555 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 2.76956 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 0.87757 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 34.86828 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 24.37104 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 -17.85441 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 4.93175 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 12.92266 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.65555 2.76956 0.87757 34.86828 24.37104 -17.85441 4.93175 value: 2.78589119833340 0.125000000000000 3.072079211617780E-006 f,g S 2.78589120 0.00000307 f,g F 2.78589120 0.00000307 D1, D2, P, A, A/P, sn, gs, a, d : 5.00541E-09 -2.50271E-09 2.50271E-09 2.50295E-09 1.00010E+00 9.14673E-03 -5.00541E-09 1.00010E+00 9.14673E-03 CONVERGENCE: FRTOL TEST SATISFIED value: 2.78589119583045 nfev, nfghev: 1 1 Final value: 2.785891 After optimisation: 1 1.00000E-04 1.66555E+01 9.99900E+03 1.31632E-06 2 0.00000E+00 2.76937E+00 9.99000E+02 2.59542E-06 3 1.00000E-04 8.77513E-01 9.99000E+02 3.64228E-07 4 0.00000E+00 3.48741E+01 9.99000E+02 -2.09983E-07 5 0.00000E+00 2.43781E+01 9.99000E+02 -4.20544E-07 6 -9.99000E+02 -1.78540E+01 9.99000E+02 -6.96950E-07 7 -9.99000E+02 4.93174E+00 9.99000E+02 -3.59730E-07 nvar, nfree, nbind: 7 7 0 Final model : 2.785891 3.86E-09 3 1 Laue 16.65552 1 0.00010 9999.00000 1 1 K_over T 16.65555 0.03510 2.76937 1 0.00000 999.00000 2 2 B_frag_imp T 2.76956 0.05263 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 0.87751 1 0.00010 999.00000 6 3 K_solv T 0.87757 0.01269 34.87410 1 0.00000 999.00000 7 4 B_solv T 34.86828 2.03667 1.0 -1 1.0 1.0 0 K_solv_imp F 24.37808 1 0.00000 999.00000 8 5 B_solv_imp T 24.37104 1.12301 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.85400 1 -999.00000 999.00000 10 6 B11_over T -17.85441 0.19625 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.93174 1 -999.00000 999.00000 12 7 B22_over T 4.93175 0.18858 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 12.92226 -1 -999.00000 999.00000 15 B33_over F 12.92266 0.00000