Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.80392 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.23116 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 0.91752 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.06414 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 37.35187 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 -17.66273 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 4.82115 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 12.84158 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.80392 3.23116 0.91752 27.06414 37.35187 -17.66273 4.82115 value: 2.84322443517053 0.125000000000000 1.052085261128569E-003 f,g S 2.84322444 0.00105209 f,g F 2.84320455 0.00105209 D1, D2, P, A, A/P, sn, gs, a, d : 4.00863E-05 -2.00431E-05 2.00431E-05 1.98844E-05 9.92078E-01 1.41710E-01 -4.00863E-05 9.92140E-01 1.25000E-01 f,g G 2.84320455 0.00001578 f,g F 2.84320455 0.00001578 D1, D2, P, A, A/P, sn, gs, a, d : 7.21838E-09 -3.60919E-09 3.60919E-09 3.60988E-09 1.00019E+00 1.72169E-03 -7.21838E-09 1.00019E+00 1.40596E-01 f,g G 2.84320455 0.00000000 f,g F 2.84320455 0.00000000 D1, D2, P, A, A/P, sn, gs, a, d : 6.04637E-16 -3.02319E-16 3.02319E-16 2.66454E-15 8.81367E+00 3.03307E-07 -6.04637E-16 4.00000E+00 1.40596E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 2.84320454720255 nfev, nfghev: 3 3 Final value: 2.843205 After optimisation: 1 1.00000E-04 1.77744E+01 9.99900E+03 -6.04930E-10 2 0.00000E+00 3.20209E+00 9.99000E+02 -3.29810E-09 3 1.00000E-04 9.16451E-01 9.99000E+02 3.57407E-09 4 0.00000E+00 2.70855E+01 9.99000E+02 5.19230E-11 5 0.00000E+00 3.72199E+01 9.99000E+02 -3.42595E-11 6 -9.99000E+02 -1.76640E+01 9.99000E+02 -9.26240E-12 7 -9.99000E+02 4.82390E+00 9.99000E+02 7.90544E-12 nvar, nfree, nbind: 7 7 0 Final model : 2.843205 6.58E-16 3 1 Laue 17.77445 1 0.00010 9999.00000 1 1 K_over T 17.80392 0.04219 3.20209 1 0.00000 999.00000 2 2 B_frag_imp T 3.23116 0.06747 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 0.91645 1 0.00010 999.00000 6 3 K_solv T 0.91752 0.01416 27.08551 1 0.00000 999.00000 7 4 B_solv T 27.06414 2.33817 1.0 -1 1.0 1.0 0 K_solv_imp F 37.21988 1 0.00000 999.00000 8 5 B_solv_imp T 37.35187 1.59674 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.66399 1 -999.00000 999.00000 10 6 B11_over T -17.66273 0.21017 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.82390 1 -999.00000 999.00000 12 7 B22_over T 4.82115 0.20207 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 12.84009 -1 -999.00000 999.00000 15 B33_over F 12.84158 0.00000