Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.60494 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 2.56419 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 0.89848 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 32.16056 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 27.68958 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 -17.94372 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 4.99424 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 12.94947 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.60494 2.56419 0.89848 32.16056 27.68958 -17.94372 4.99424 value: 2.77311905091531 0.125000000000000 1.097984874888397E-005 f,g S 2.77311905 0.00001098 f,g F 2.77311905 0.00001098 D1, D2, P, A, A/P, sn, gs, a, d : 5.23808E-09 -2.61904E-09 2.61904E-09 2.61946E-09 1.00016E+00 1.22859E-02 -5.23808E-09 1.00016E+00 1.22859E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.77311904829585 nfev, nfghev: 1 1 Final value: 2.773119 After optimisation: 1 1.00000E-04 1.66050E+01 9.99900E+03 -6.03759E-06 2 0.00000E+00 2.56451E+00 9.99000E+02 -5.86199E-06 3 1.00000E-04 8.98415E-01 9.99000E+02 7.03981E-06 4 0.00000E+00 3.21728E+01 9.99000E+02 -1.60207E-07 5 0.00000E+00 2.76910E+01 9.99000E+02 -2.87330E-07 6 -9.99000E+02 -1.79436E+01 9.99000E+02 -2.05454E-07 7 -9.99000E+02 4.99412E+00 9.99000E+02 1.79628E-07 nvar, nfree, nbind: 7 7 0 Final model : 2.773119 2.14E-09 3 1 Laue 16.60503 1 0.00010 9999.00000 1 1 K_over T 16.60494 0.03496 2.56451 1 0.00000 999.00000 2 2 B_frag_imp T 2.56419 0.05328 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 0.89841 1 0.00010 999.00000 6 3 K_solv T 0.89848 0.01269 32.17276 1 0.00000 999.00000 7 4 B_solv T 32.16056 2.06481 1.0 -1 1.0 1.0 0 K_solv_imp F 27.69097 1 0.00000 999.00000 8 5 B_solv_imp T 27.68958 1.21895 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.94358 1 -999.00000 999.00000 10 6 B11_over T -17.94372 0.19218 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.99412 1 -999.00000 999.00000 12 7 B22_over T 4.99424 0.18451 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 12.94947 -1 -999.00000 999.00000 15 B33_over F 12.94947 0.00000