Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.78605 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 12.08412 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 0.97955 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 26.72606 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 36.61772 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 -17.23489 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 4.85914 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 12.37575 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.78605 12.08412 0.97955 26.72606 36.61772 -17.23489 4.85914 value: 3.11070068654271 0.125000000000000 3.944383782798967E-004 f,g S 3.11070069 0.00039444 f,g F 3.11069803 0.00039444 D1, D2, P, A, A/P, sn, gs, a, d : 5.31418E-06 -2.65709E-06 2.65709E-06 2.65417E-06 9.98903E-01 1.87954E-01 -5.31418E-06 9.98904E-01 1.25000E-01 f,g G 3.11069803 0.00000085 f,g F 3.11069803 0.00000085 D1, D2, P, A, A/P, sn, gs, a, d : 4.32121E-11 -2.16060E-11 2.16060E-11 2.15996E-11 9.99703E-01 6.77579E-04 -4.32121E-11 9.99703E-01 1.87748E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.11069803234639 nfev, nfghev: 2 2 Final value: 3.110698 After optimisation: 1 1.00000E-04 1.78019E+01 9.99900E+03 2.02756E-07 2 0.00000E+00 1.20609E+01 9.99000E+02 -2.58405E-07 3 1.00000E-04 9.79894E-01 9.99000E+02 7.85504E-07 4 0.00000E+00 2.67027E+01 9.99000E+02 1.19107E-08 5 0.00000E+00 3.68020E+01 9.99000E+02 -3.10929E-09 6 -9.99000E+02 -1.72374E+01 9.99000E+02 -3.96207E-09 7 -9.99000E+02 4.85473E+00 9.99000E+02 -1.33627E-08 nvar, nfree, nbind: 7 7 0 Final model : 3.110698 1.06E-11 3 1 Laue 17.80190 1 0.00010 9999.00000 1 1 K_over T 17.78605 0.06332 12.06087 1 0.00000 999.00000 2 2 B_frag_imp T 12.08412 0.20495 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 0.97989 1 0.00010 999.00000 6 3 K_solv T 0.97955 0.01938 26.70271 1 0.00000 999.00000 7 4 B_solv T 26.72606 3.47071 1.0 -1 1.0 1.0 0 K_solv_imp F 36.80202 1 0.00000 999.00000 8 5 B_solv_imp T 36.61772 2.80018 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.23735 1 -999.00000 999.00000 10 6 B11_over T -17.23489 0.29350 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.85473 1 -999.00000 999.00000 12 7 B22_over T 4.85914 0.28477 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 12.38262 -1 -999.00000 999.00000 15 B33_over F 12.37575 0.00000