Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.25426 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.04730 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 0.92212 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.79401 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 45.08256 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 -17.88570 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 5.01228 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 12.87342 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.25426 4.04730 0.92212 30.79401 45.08256 -17.88570 5.01228 value: 2.89313648930291 0.125000000000000 1.307887216032693E-005 f,g S 2.89313649 0.00001308 f,g F 2.89313649 0.00001308 D1, D2, P, A, A/P, sn, gs, a, d : 5.76400E-09 -2.88200E-09 2.88200E-09 2.88187E-09 9.99955E-01 2.80270E-03 -5.76400E-09 9.99955E-01 2.80270E-03 CONVERGENCE: FRTOL TEST SATISFIED value: 2.89313648642104 nfev, nfghev: 1 1 Final value: 2.893136 After optimisation: 1 1.00000E-04 1.72539E+01 9.99900E+03 1.27830E-05 2 0.00000E+00 4.04704E+00 9.99000E+02 1.90670E-06 3 1.00000E-04 9.22108E-01 9.99000E+02 1.91398E-06 4 0.00000E+00 3.07938E+01 9.99000E+02 7.52655E-08 5 0.00000E+00 4.50798E+01 9.99000E+02 4.24303E-09 6 -9.99000E+02 -1.78858E+01 9.99000E+02 4.61661E-07 7 -9.99000E+02 5.01203E+00 9.99000E+02 3.66343E-07 nvar, nfree, nbind: 7 7 0 Final model : 2.893136 1.10E-09 3 1 Laue 17.25386 1 0.00010 9999.00000 1 1 K_over T 17.25426 0.04405 4.04704 1 0.00000 999.00000 2 2 B_frag_imp T 4.04730 0.08483 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 0.92211 1 0.00010 999.00000 6 3 K_solv T 0.92212 0.01595 30.79379 1 0.00000 999.00000 7 4 B_solv T 30.79401 2.81843 1.0 -1 1.0 1.0 0 K_solv_imp F 45.07982 1 0.00000 999.00000 8 5 B_solv_imp T 45.08256 1.98550 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.88580 1 -999.00000 999.00000 10 6 B11_over T -17.88570 0.22043 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.01203 1 -999.00000 999.00000 12 7 B22_over T 5.01228 0.21332 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 12.87378 -1 -999.00000 999.00000 15 B33_over F 12.87342 0.00000