Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.75214 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.63735 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 0.90328 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 33.60567 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 36.68062 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 -17.94560 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 4.99204 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 12.95356 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.75214 3.63735 0.90328 33.60567 36.68062 -17.94560 4.99204 value: 2.87517741456928 0.125000000000000 1.409024258064120E-004 f,g S 2.87517741 0.00014090 f,g F 2.87517713 0.00014090 D1, D2, P, A, A/P, sn, gs, a, d : 5.74916E-07 -2.87458E-07 2.87458E-07 2.87588E-07 1.00045E+00 5.95850E-03 -5.74916E-07 1.00045E+00 5.95850E-03 f,g G 2.87517713 0.00000013 f,g F 2.87517713 0.00000013 D1, D2, P, A, A/P, sn, gs, a, d : 4.89309E-13 -2.44655E-13 2.44655E-13 2.38032E-13 9.72930E-01 1.18573E-05 -4.89309E-13 9.73643E-01 5.96121E-03 CONVERGENCE: FRTOL TEST SATISFIED value: 2.87517712698057 nfev, nfghev: 2 2 Final value: 2.875177 After optimisation: 1 1.00000E-04 1.67560E+01 9.99900E+03 -6.05386E-08 2 0.00000E+00 3.63977E+00 9.99000E+02 -6.99770E-08 3 1.00000E-04 9.03379E-01 9.99000E+02 8.65615E-08 4 0.00000E+00 3.36088E+01 9.99000E+02 7.01264E-10 5 0.00000E+00 3.66828E+01 9.99000E+02 -7.27128E-10 6 -9.99000E+02 -1.79457E+01 9.99000E+02 -3.21952E-10 7 -9.99000E+02 4.99158E+00 9.99000E+02 1.36093E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.875177 2.90E-13 3 1 Laue 16.75596 1 0.00010 9999.00000 1 1 K_over T 16.75214 0.04081 3.63977 1 0.00000 999.00000 2 2 B_frag_imp T 3.63735 0.07402 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 0.90338 1 0.00010 999.00000 6 3 K_solv T 0.90328 0.01556 33.60882 1 0.00000 999.00000 7 4 B_solv T 33.60567 2.72465 1.0 -1 1.0 1.0 0 K_solv_imp F 36.68285 1 0.00000 999.00000 8 5 B_solv_imp T 36.68062 1.68054 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.94570 1 -999.00000 999.00000 10 6 B11_over T -17.94560 0.21628 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.99158 1 -999.00000 999.00000 12 7 B22_over T 4.99204 0.20902 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 12.95412 -1 -999.00000 999.00000 15 B33_over F 12.95356 0.00000