Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.25025 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.04200 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 0.92211 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.76417 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 45.04616 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 -17.88823 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 5.01065 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 12.87758 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.25025 4.04200 0.92211 30.76417 45.04616 -17.88823 5.01065 value: 2.89290594167219 0.125000000000000 3.097838618069192E-005 f,g S 2.89290594 0.00003098 f,g F 2.89290591 0.00003098 D1, D2, P, A, A/P, sn, gs, a, d : 5.56399E-08 -2.78200E-08 2.78200E-08 2.78067E-08 9.99525E-01 2.05955E-02 -5.56399E-08 9.99525E-01 2.05955E-02 f,g G 2.89290591 0.00000002 f,g F 2.89290591 0.00000002 D1, D2, P, A, A/P, sn, gs, a, d : 3.17701E-14 -1.58850E-14 1.58850E-14 1.86517E-14 1.17417E+00 2.10142E-05 -3.17701E-14 1.21090E+00 2.05955E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.89290591386542 nfev, nfghev: 2 2 Final value: 2.892906 After optimisation: 1 1.00000E-04 1.72497E+01 9.99900E+03 -4.50086E-09 2 0.00000E+00 4.04008E+00 9.99000E+02 -1.65278E-08 3 1.00000E-04 9.22146E-01 9.99000E+02 1.38547E-08 4 0.00000E+00 3.07480E+01 9.99000E+02 1.26481E-10 5 0.00000E+00 4.50336E+01 9.99000E+02 -5.02407E-10 6 -9.99000E+02 -1.78889E+01 9.99000E+02 -3.39097E-10 7 -9.99000E+02 5.00983E+00 9.99000E+02 -2.13148E-10 nvar, nfree, nbind: 7 7 0 Final model : 2.892906 1.12E-14 3 1 Laue 17.24969 1 0.00010 9999.00000 1 1 K_over T 17.25025 0.04402 4.04008 1 0.00000 999.00000 2 2 B_frag_imp T 4.04200 0.08477 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 0.92215 1 0.00010 999.00000 6 3 K_solv T 0.92211 0.01593 30.74798 1 0.00000 999.00000 7 4 B_solv T 30.76417 2.81453 1.0 -1 1.0 1.0 0 K_solv_imp F 45.03364 1 0.00000 999.00000 8 5 B_solv_imp T 45.04616 1.98251 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.88892 1 -999.00000 999.00000 10 6 B11_over T -17.88823 0.22036 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.00983 1 -999.00000 999.00000 12 7 B22_over T 5.01065 0.21324 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 12.87909 -1 -999.00000 999.00000 15 B33_over F 12.87758 0.00000