Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.17560 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 6.12104 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 0.93457 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.13669 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 41.68355 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 -17.43179 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 5.00975 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 12.42204 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.17560 6.12104 0.93457 28.13669 41.68355 -17.43179 5.00975 value: 2.98164345900150 0.125000000000000 2.406067030584857E-005 f,g S 2.98164346 0.00002406 f,g F 2.98164345 0.00002406 D1, D2, P, A, A/P, sn, gs, a, d : 1.83969E-08 -9.19845E-09 9.19845E-09 9.19752E-09 9.99898E-01 1.33738E-02 -1.83969E-08 9.99898E-01 1.33738E-02 f,g G 2.98164345 0.00000001 f,g F 2.98164345 0.00000001 D1, D2, P, A, A/P, sn, gs, a, d : 2.53514E-15 -1.26757E-15 1.26757E-15 1.33227E-15 1.05104E+00 1.62499E-05 -2.53514E-15 1.05379E+00 1.33738E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.98164344980398 nfev, nfghev: 2 2 Final value: 2.981643 After optimisation: 1 1.00000E-04 1.71763E+01 9.99900E+03 1.30465E-09 2 0.00000E+00 6.11974E+00 9.99000E+02 -2.55706E-09 3 1.00000E-04 9.34573E-01 9.99000E+02 1.07412E-08 4 0.00000E+00 2.81296E+01 9.99000E+02 1.88506E-10 5 0.00000E+00 4.16948E+01 9.99000E+02 -1.26817E-11 6 -9.99000E+02 -1.74312E+01 9.99000E+02 8.40428E-11 7 -9.99000E+02 5.00926E+00 9.99000E+02 -4.85048E-11 nvar, nfree, nbind: 7 7 0 Final model : 2.981643 3.04E-15 3 1 Laue 17.17628 1 0.00010 9999.00000 1 1 K_over T 17.17560 0.05059 6.11974 1 0.00000 999.00000 2 2 B_frag_imp T 6.12104 0.12063 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 0.93457 1 0.00010 999.00000 6 3 K_solv T 0.93457 0.01688 28.12960 1 0.00000 999.00000 7 4 B_solv T 28.13669 2.92758 1.0 -1 1.0 1.0 0 K_solv_imp F 41.69478 1 0.00000 999.00000 8 5 B_solv_imp T 41.68355 2.13360 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.43124 1 -999.00000 999.00000 10 6 B11_over T -17.43179 0.24770 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.00926 1 -999.00000 999.00000 12 7 B22_over T 5.00975 0.23995 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 12.42199 -1 -999.00000 999.00000 15 B33_over F 12.42204 0.00000