Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.50110 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 5.30439 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 0.92533 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.30186 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 40.45503 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 -17.50913 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 5.04165 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 12.46748 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.50110 5.30439 0.92533 27.30186 40.45503 -17.50913 5.04165 value: 3.10851776485825 0.125000000000000 7.571843783810142E-002 f,g S 3.10851776 0.07571844 f,g F 3.06027505 0.07571844 D1, D2, P, A, A/P, sn, gs, a, d : 5.73460E-02 -8.81024E-03 4.85357E-02 4.82427E-02 9.93962E-01 1.53283E+01 -5.73460E-02 3.14974E+00 1.25000E-01 f,g G 3.06027505 0.05153453 f,g F 3.00628252 0.05153453 D1, D2, P, A, A/P, sn, gs, a, d : 9.34332E-02 -4.67166E-02 4.67166E-02 5.39925E-02 1.15575E+00 1.02847E+01 -9.34332E-02 1.18448E+00 5.00000E-01 f,g G 3.00628252 0.01173143 f,g F 2.99847384 0.01173143 D1, D2, P, A, A/P, sn, gs, a, d : 1.35425E-02 -6.77127E-03 6.77127E-03 7.80868E-03 1.15321E+00 7.64197E+00 -1.35425E-02 1.18093E+00 2.00000E+00 f,g G 2.99847384 0.00285481 f,g F 2.99780932 0.00285481 D1, D2, P, A, A/P, sn, gs, a, d : 1.24872E-03 -6.24360E-04 6.24360E-04 6.64523E-04 1.06433E+00 3.08103E+00 -1.24872E-03 1.06875E+00 8.00000E+00 f,g G 2.99780932 0.00026044 f,g F 2.99780119 0.00026044 D1, D2, P, A, A/P, sn, gs, a, d : 1.61305E-05 -8.06527E-06 8.06527E-06 8.13337E-06 1.00844E+00 5.00223E-01 -1.61305E-05 1.00852E+00 8.00000E+00 f,g G 2.99780119 0.00000428 f,g F 2.99780119 0.00000428 D1, D2, P, A, A/P, sn, gs, a, d : 2.87796E-09 -1.43898E-09 1.43898E-09 1.43916E-09 1.00012E+00 2.62763E-03 -2.87796E-09 1.00012E+00 8.00000E+00 CONVERGENCE: FRTOL TEST SATISFIED value: 2.99780118698144 nfev, nfghev: 6 6 Final value: 2.997801 After optimisation: 1 1.00000E-04 1.84794E+01 9.99900E+03 -5.84136E-07 2 0.00000E+00 9.29274E+00 9.99000E+02 -3.02852E-06 3 1.00000E-04 1.04112E+00 9.99000E+02 2.96872E-06 4 0.00000E+00 4.05310E+01 9.99000E+02 4.49154E-08 5 0.00000E+00 4.20711E+01 9.99000E+02 -1.64406E-08 6 -9.99000E+02 -1.66798E+01 9.99000E+02 -2.03814E-08 7 -9.99000E+02 4.64713E+00 9.99000E+02 8.80364E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.997801 8.00E-10 3 1 Laue 18.47941 1 0.00010 9999.00000 1 1 K_over T 16.50110 0.05363 9.29274 1 0.00000 999.00000 2 2 B_frag_imp T 5.30439 0.13455 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 1.04112 1 0.00010 999.00000 6 3 K_solv T 0.92533 0.01958 40.53103 1 0.00000 999.00000 7 4 B_solv T 27.30186 3.62839 1.0 -1 1.0 1.0 0 K_solv_imp F 42.07114 1 0.00000 999.00000 8 5 B_solv_imp T 40.45503 2.77725 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -16.67975 1 -999.00000 999.00000 10 6 B11_over T -17.50913 0.26851 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.64713 1 -999.00000 999.00000 12 7 B22_over T 5.04165 0.25852 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 12.03262 -1 -999.00000 999.00000 15 B33_over F 12.46748 0.00000