Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.80934 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.49269 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 0.89258 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.26998 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 36.44912 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 -17.79041 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 4.95020 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 12.84021 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.80934 3.49269 0.89258 28.26998 36.44912 -17.79041 4.95020 value: 2.85851733473334 0.125000000000000 4.292601865403742E-003 f,g S 2.85851733 0.00429260 f,g F 2.85847064 0.00429260 D1, D2, P, A, A/P, sn, gs, a, d : 9.45185E-05 -4.72593E-05 4.72593E-05 4.66977E-05 9.88117E-01 2.12762E-01 -9.45185E-05 9.88256E-01 1.25000E-01 f,g G 2.85847064 0.00003598 f,g F 2.85847061 0.00003598 D1, D2, P, A, A/P, sn, gs, a, d : 4.83052E-08 -2.41526E-08 2.41526E-08 2.41642E-08 1.00048E+00 1.07901E-02 -4.83052E-08 1.00048E+00 2.10264E-01 f,g G 2.85847061 0.00000005 f,g F 2.85847061 0.00000005 D1, D2, P, A, A/P, sn, gs, a, d : 3.25101E-14 -1.62551E-14 1.62551E-14 1.95399E-14 1.20208E+00 2.07308E-05 -3.25101E-14 1.25326E+00 2.10264E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 2.85847061290167 nfev, nfghev: 3 3 Final value: 2.858471 After optimisation: 1 1.00000E-04 1.78344E+01 9.99900E+03 2.99145E-09 2 0.00000E+00 3.44564E+00 9.99000E+02 -2.24503E-08 3 1.00000E-04 8.98151E-01 9.99000E+02 3.90940E-08 4 0.00000E+00 2.81348E+01 9.99000E+02 6.73325E-10 5 0.00000E+00 3.65786E+01 9.99000E+02 -1.36516E-10 6 -9.99000E+02 -1.77613E+01 9.99000E+02 7.95271E-11 7 -9.99000E+02 4.90322E+00 9.99000E+02 -2.40603E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.858471 1.35E-14 3 1 Laue 17.83440 1 0.00010 9999.00000 1 1 K_over T 17.80934 0.04325 3.44564 1 0.00000 999.00000 2 2 B_frag_imp T 3.49269 0.07061 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 0.89815 1 0.00010 999.00000 6 3 K_solv T 0.89258 0.01407 28.13476 1 0.00000 999.00000 7 4 B_solv T 28.26998 2.37876 1.0 -1 1.0 1.0 0 K_solv_imp F 36.57857 1 0.00000 999.00000 8 5 B_solv_imp T 36.44912 1.61323 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.76135 1 -999.00000 999.00000 10 6 B11_over T -17.79041 0.21442 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.90322 1 -999.00000 999.00000 12 7 B22_over T 4.95020 0.20648 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 12.85813 -1 -999.00000 999.00000 15 B33_over F 12.84021 0.00000