Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.96330 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.67457 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 0.92691 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 31.27458 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 42.51570 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 -17.60692 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 4.98100 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 12.62591 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.96330 4.67457 0.92691 31.27458 42.51570 -17.60692 4.98100 value: 2.93173166245810 0.125000000000000 3.651341463984341E-004 f,g S 2.93173166 0.00036513 f,g F 2.93172995 0.00036513 D1, D2, P, A, A/P, sn, gs, a, d : 3.42666E-06 -1.71333E-06 1.71333E-06 1.71250E-06 9.99514E-01 4.37731E-02 -3.42666E-06 9.99515E-01 4.37731E-02 f,g G 2.93172995 0.00000031 f,g F 2.93172995 0.00000031 D1, D2, P, A, A/P, sn, gs, a, d : 8.48085E-12 -4.24042E-12 4.24042E-12 4.24150E-12 1.00025E+00 3.28230E-04 -8.48085E-12 1.00025E+00 4.37731E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.93172994995357 nfev, nfghev: 2 2 Final value: 2.931730 After optimisation: 1 1.00000E-04 1.69531E+01 9.99900E+03 -1.64272E-07 2 0.00000E+00 4.67127E+00 9.99000E+02 -2.35700E-07 3 1.00000E-04 9.26510E-01 9.99000E+02 1.16530E-07 4 0.00000E+00 3.12657E+01 9.99000E+02 6.64687E-10 5 0.00000E+00 4.24746E+01 9.99000E+02 -2.61986E-09 6 -9.99000E+02 -1.76109E+01 9.99000E+02 3.47064E-09 7 -9.99000E+02 4.98480E+00 9.99000E+02 -2.70636E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.931730 3.55E-12 3 1 Laue 16.95307 1 0.00010 9999.00000 1 1 K_over T 16.96330 0.04534 4.67127 1 0.00000 999.00000 2 2 B_frag_imp T 4.67457 0.09377 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 0.92651 1 0.00010 999.00000 6 3 K_solv T 0.92691 0.01605 31.26568 1 0.00000 999.00000 7 4 B_solv T 31.27458 2.88869 1.0 -1 1.0 1.0 0 K_solv_imp F 42.47456 1 0.00000 999.00000 8 5 B_solv_imp T 42.51570 1.99376 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.61090 1 -999.00000 999.00000 10 6 B11_over T -17.60692 0.23218 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.98480 1 -999.00000 999.00000 12 7 B22_over T 4.98100 0.22476 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 12.62609 -1 -999.00000 999.00000 15 B33_over F 12.62591 0.00000