Details of MaxLik refinement
Calling alabaster 1 8 9 Calling optimiser: i var_all var_fixed constraint 1 2.64783 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.29608 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 0.95510 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 78.07665 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 9.11076 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 1.0 0.0 10 -0.10270 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 1.0 11 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12 -0.10270 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 0.20540 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 -2.0 var_free: 2.64783 3.29608 0.95510 78.07665 9.11076 0.00000 -0.10270 value: 4.73974938904427 0.125000000000000 6.863525826228724E-002 f,g S 4.73974939 0.06863526 f,g F 4.73793793 0.06863526 D1, D2, P, A, A/P, sn, gs, a, d : 6.79726E-03 -3.39863E-03 3.39863E-03 1.81146E-03 5.32997E-01 5.64615E+00 -6.79726E-03 6.81662E-01 1.25000E-01 f,g G 4.73793793 0.02953068 f,g F 4.73705326 0.02953068 D1, D2, P, A, A/P, sn, gs, a, d : 1.53278E-03 -7.66390E-04 7.66390E-04 8.84666E-04 1.15433E+00 1.84345E+00 -1.53278E-03 1.18249E+00 5.00000E-01 f,g G 4.73705326 0.00515927 f,g F 4.73698227 0.00515927 D1, D2, P, A, A/P, sn, gs, a, d : 1.33588E-04 -6.67942E-05 6.67942E-05 7.09982E-05 1.06294E+00 9.35762E-01 -1.33588E-04 1.06717E+00 2.00000E+00 f,g G 4.73698227 0.00046190 f,g F 4.73698156 0.00046190 D1, D2, P, A, A/P, sn, gs, a, d : 1.39290E-06 -6.96451E-07 6.96451E-07 7.01408E-07 1.00712E+00 1.10500E-01 -1.39290E-06 1.00717E+00 2.00000E+00 f,g G 4.73698156 0.00000503 f,g F 4.73698156 0.00000503 D1, D2, P, A, A/P, sn, gs, a, d : 1.61477E-10 -8.07384E-11 8.07384E-11 8.07345E-11 9.99952E-01 1.21403E-03 -1.61477E-10 9.99952E-01 2.00000E+00 CONVERGENCE: FRTOL TEST SATISFIED value: 4.73698156458442 nfev, nfghev: 5 5 Final value: 4.736982 After optimisation: 1 1.00000E-04 2.70190E+00 9.99900E+03 8.03625E-07 2 0.00000E+00 3.27445E+00 9.99000E+02 -4.14851E-07 3 1.00000E-04 9.46025E-01 9.99000E+02 -4.94223E-06 4 0.00000E+00 7.68142E+01 9.99000E+02 -7.51833E-09 5 0.00000E+00 6.13043E+00 9.99000E+02 -1.76699E-07 6 -9.99000E+02 8.71812E-01 9.99000E+02 1.10045E-08 7 -9.99000E+02 -1.05058E-01 9.99000E+02 -1.05439E-09 nvar, nfree, nbind: 7 7 0 Final model : 4.736982 5.93E-10 6 1 Laue 2.70190 1 0.00010 9999.00000 1 1 K_over T 2.64783 0.01097 3.27445 1 0.00000 999.00000 2 2 B_frag_imp T 3.29608 0.04335 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 0.94602 1 0.00010 999.00000 6 3 K_solv T 0.95510 0.00648 76.81419 1 0.00000 999.00000 7 4 B_solv T 78.07665 1.05416 1.0 -1 1.0 1.0 0 K_solv_imp F 6.13043 1 0.00000 999.00000 8 5 B_solv_imp T 9.11076 0.49049 0.87181 1 -999.00000 999.00000 9 6 B_over T 0.00000 0.21385 -0.10506 1 -999.00000 999.00000 10 7 B11_over T -0.10270 0.09172 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 -0.10506 -1 -999.00000 999.00000 12 B22_over F -0.10270 0.00000 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 0.21012 -1 -999.00000 999.00000 15 B33_over F 0.20540 0.00000