Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.91593 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 5.10624 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 0.86799 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 26.80455 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 35.64219 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 -18.35233 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 5.36823 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 12.98409 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.91593 5.10624 0.86799 26.80455 35.64219 -18.35233 5.36823 value: 3.03192827012784 0.125000000000000 2.822775815092293E-002 f,g S 3.03192827 0.02822776 f,g F 3.03890327 0.02822776 D1, D2, P, A, A/P, sn, gs, a, d : 2.44013E-02 4.66224E-03 2.90635E-02 -6.97500E-03 -2.39991E-01 9.00288E+01 -2.44013E-02 3.88849E-01 1.25000E-01 f,g F 3.02516919 0.02822776 D1, D2, P, A, A/P, sn, gs, a, d : 1.23716E-02 1.14089E-03 1.35125E-02 6.75908E-03 5.00209E-01 4.54736E+01 -1.23716E-02 1.10214E+00 6.25000E-02 f,g G 3.02516919 0.01372816 f,g F 3.01804402 0.01372816 D1, D2, P, A, A/P, sn, gs, a, d : 1.30727E-02 -6.53637E-03 6.53637E-03 7.12517E-03 1.09008E+00 2.87654E+01 -1.30727E-02 1.09900E+00 2.50000E-01 f,g G 3.01804402 0.00478208 f,g F 3.01746309 0.00478208 D1, D2, P, A, A/P, sn, gs, a, d : 1.05658E-03 -5.28292E-04 5.28292E-04 5.80929E-04 1.09964E+00 5.25337E+00 -1.05658E-03 1.11066E+00 1.00000E+00 f,g G 3.01746309 0.00100939 f,g F 3.01744356 0.00100939 D1, D2, P, A, A/P, sn, gs, a, d : 3.78373E-05 -1.89186E-05 1.89186E-05 1.95334E-05 1.03250E+00 1.53918E+00 -3.78373E-05 1.03359E+00 4.00000E+00 f,g G 3.01744356 0.00006191 f,g F 3.01744351 0.00006191 D1, D2, P, A, A/P, sn, gs, a, d : 9.99428E-08 -4.99714E-08 4.99714E-08 5.00645E-08 1.00186E+00 8.79131E-02 -9.99428E-08 1.00187E+00 4.00000E+00 f,g G 3.01744351 0.00000019 f,g F 3.01744351 0.00000019 D1, D2, P, A, A/P, sn, gs, a, d : 7.88582E-13 -3.94291E-13 3.94291E-13 3.98792E-13 1.01142E+00 2.57307E-04 -7.88582E-13 1.01155E+00 4.00000E+00 CONVERGENCE: FRTOL TEST SATISFIED value: 3.01744350692351 nfev, nfghev: 7 6 Final value: 3.017444 After optimisation: 1 1.00000E-04 1.80805E+01 9.99900E+03 1.86757E-08 2 0.00000E+00 7.32209E+00 9.99000E+02 -1.20338E-08 3 1.00000E-04 9.73271E-01 9.99000E+02 -1.90477E-07 4 0.00000E+00 3.83936E+01 9.99000E+02 -8.59318E-10 5 0.00000E+00 2.84824E+01 9.99000E+02 -3.56749E-09 6 -9.99000E+02 -1.75218E+01 9.99000E+02 3.33473E-12 7 -9.99000E+02 5.20442E+00 9.99000E+02 4.29419E-12 nvar, nfree, nbind: 7 7 0 Final model : 3.017444 1.62E-12 3 1 Laue 18.08052 1 0.00010 9999.00000 1 1 K_over T 17.91593 0.05108 7.32209 1 0.00000 999.00000 2 2 B_frag_imp T 5.10624 0.11489 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 0.97327 1 0.00010 999.00000 6 3 K_solv T 0.86799 0.01611 38.39357 1 0.00000 999.00000 7 4 B_solv T 26.80455 3.34540 1.0 -1 1.0 1.0 0 K_solv_imp F 28.48242 1 0.00000 999.00000 8 5 B_solv_imp T 35.64219 2.07244 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.52179 1 -999.00000 999.00000 10 6 B11_over T -18.35233 0.26632 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.20442 1 -999.00000 999.00000 12 7 B22_over T 5.36823 0.25819 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 12.31736 -1 -999.00000 999.00000 15 B33_over F 12.98409 0.00000