Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.98934 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.17172 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 0.92009 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 31.45492 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 43.67215 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 -17.80753 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 5.02931 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 12.77822 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.98934 4.17172 0.92009 31.45492 43.67215 -17.80753 5.02931 value: 2.90735958941543 0.125000000000000 3.982732156870965E-004 f,g S 2.90735959 0.00039827 f,g F 2.90735721 0.00039827 D1, D2, P, A, A/P, sn, gs, a, d : 4.75087E-06 -2.37543E-06 2.37543E-06 2.37741E-06 1.00083E+00 6.34665E-02 -4.75087E-06 1.00083E+00 6.34665E-02 f,g G 2.90735721 0.00000077 f,g F 2.90735721 0.00000077 D1, D2, P, A, A/P, sn, gs, a, d : 2.04131E-11 -1.02066E-11 1.02066E-11 1.02043E-11 9.99778E-01 3.32766E-04 -2.04131E-11 9.99778E-01 6.35195E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.90735721199136 nfev, nfghev: 2 2 Final value: 2.907357 After optimisation: 1 1.00000E-04 1.70012E+01 9.99900E+03 -3.33344E-07 2 0.00000E+00 4.17641E+00 9.99000E+02 -3.99576E-07 3 1.00000E-04 9.20164E-01 9.99000E+02 5.65496E-07 4 0.00000E+00 3.14807E+01 9.99000E+02 2.95353E-09 5 0.00000E+00 4.37289E+01 9.99000E+02 -4.76750E-09 6 -9.99000E+02 -1.78095E+01 9.99000E+02 -1.21131E-09 7 -9.99000E+02 5.02951E+00 9.99000E+02 -6.34421E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.907357 1.05E-11 3 1 Laue 17.00115 1 0.00010 9999.00000 1 1 K_over T 16.98934 0.04410 4.17641 1 0.00000 999.00000 2 2 B_frag_imp T 4.17172 0.08671 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 0.92016 1 0.00010 999.00000 6 3 K_solv T 0.92009 0.01597 31.48066 1 0.00000 999.00000 7 4 B_solv T 31.45492 2.86925 1.0 -1 1.0 1.0 0 K_solv_imp F 43.72890 1 0.00000 999.00000 8 5 B_solv_imp T 43.67215 1.97408 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.80949 1 -999.00000 999.00000 10 6 B11_over T -17.80753 0.22437 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.02951 1 -999.00000 999.00000 12 7 B22_over T 5.02931 0.21720 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 12.77998 -1 -999.00000 999.00000 15 B33_over F 12.77822 0.00000