Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.21405 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.00839 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 0.92263 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.72045 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 44.58023 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 -17.88378 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 5.00332 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 12.88046 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.21405 4.00839 0.92263 30.72045 44.58023 -17.88378 5.00332 value: 2.89187758179668 0.125000000000000 1.124944415273290E-004 f,g S 2.89187758 0.00011249 f,g F 2.89187738 0.00011249 D1, D2, P, A, A/P, sn, gs, a, d : 4.07710E-07 -2.03855E-07 2.03855E-07 2.03749E-07 9.99478E-01 2.70906E-02 -4.07710E-07 9.99479E-01 2.70906E-02 f,g G 2.89187738 0.00000012 f,g F 2.89187738 0.00000012 D1, D2, P, A, A/P, sn, gs, a, d : 3.82100E-13 -1.91050E-13 1.91050E-13 1.91847E-13 1.00417E+00 3.51633E-05 -3.82100E-13 1.00419E+00 2.70906E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.89187737804763 nfev, nfghev: 2 2 Final value: 2.891877 After optimisation: 1 1.00000E-04 1.72107E+01 9.99900E+03 -4.79009E-08 2 0.00000E+00 4.00594E+00 9.99000E+02 -5.65756E-08 3 1.00000E-04 9.22646E-01 9.99000E+02 9.24708E-08 4 0.00000E+00 3.07176E+01 9.99000E+02 6.78631E-10 5 0.00000E+00 4.45536E+01 9.99000E+02 -8.48007E-10 6 -9.99000E+02 -1.78839E+01 9.99000E+02 -2.50933E-10 7 -9.99000E+02 5.00382E+00 9.99000E+02 1.79406E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.891877 2.01E-13 3 1 Laue 17.21075 1 0.00010 9999.00000 1 1 K_over T 17.21405 0.04381 4.00594 1 0.00000 999.00000 2 2 B_frag_imp T 4.00839 0.08425 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 0.92265 1 0.00010 999.00000 6 3 K_solv T 0.92263 0.01587 30.71763 1 0.00000 999.00000 7 4 B_solv T 30.72045 2.80705 1.0 -1 1.0 1.0 0 K_solv_imp F 44.55364 1 0.00000 999.00000 8 5 B_solv_imp T 44.58023 1.96455 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.88388 1 -999.00000 999.00000 10 6 B11_over T -17.88378 0.22013 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.00382 1 -999.00000 999.00000 12 7 B22_over T 5.00332 0.21295 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 12.88006 -1 -999.00000 999.00000 15 B33_over F 12.88046 0.00000