Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.64828 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 8.49263 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 0.94725 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.60207 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 36.49585 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 -17.45276 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 4.95485 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 12.49791 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.64828 8.49263 0.94725 28.60207 36.49585 -17.45276 4.95485 value: 3.06507441908841 0.125000000000000 1.997948389375759E-004 f,g S 3.06507442 0.00019979 f,g F 3.06507271 0.00019979 D1, D2, P, A, A/P, sn, gs, a, d : 3.42361E-06 -1.71181E-06 1.71181E-06 1.70709E-06 9.97248E-01 8.04887E-02 -3.42361E-06 9.97256E-01 8.04887E-02 f,g G 3.06507271 0.00000053 f,g F 3.06507271 0.00000053 D1, D2, P, A, A/P, sn, gs, a, d : 7.24306E-11 -3.62153E-11 3.62153E-11 3.61937E-11 9.99404E-01 7.75992E-04 -7.24306E-11 9.99405E-01 8.04887E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 3.06507271195745 nfev, nfghev: 2 2 Final value: 3.065073 After optimisation: 1 1.00000E-04 1.66409E+01 9.99900E+03 -2.80629E-07 2 0.00000E+00 8.46380E+00 9.99000E+02 -4.23003E-07 3 1.00000E-04 9.46390E-01 9.99000E+02 1.61687E-07 4 0.00000E+00 2.85333E+01 9.99000E+02 1.23666E-09 5 0.00000E+00 3.65156E+01 9.99000E+02 -8.69839E-09 6 -9.99000E+02 -1.74691E+01 9.99000E+02 -1.04465E-08 7 -9.99000E+02 4.96429E+00 9.99000E+02 2.86767E-09 nvar, nfree, nbind: 7 7 0 Final model : 3.065073 2.59E-11 3 1 Laue 16.64088 1 0.00010 9999.00000 1 1 K_over T 16.64828 0.05512 8.46380 1 0.00000 999.00000 2 2 B_frag_imp T 8.49263 0.15916 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 0.94639 1 0.00010 999.00000 6 3 K_solv T 0.94725 0.01717 28.53333 1 0.00000 999.00000 7 4 B_solv T 28.60207 3.19595 1.0 -1 1.0 1.0 0 K_solv_imp F 36.51561 1 0.00000 999.00000 8 5 B_solv_imp T 36.49585 2.34402 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.46913 1 -999.00000 999.00000 10 6 B11_over T -17.45276 0.27525 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.96429 1 -999.00000 999.00000 12 7 B22_over T 4.95485 0.26743 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 12.50484 -1 -999.00000 999.00000 15 B33_over F 12.49791 0.00000