Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.77589 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.71950 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 0.90127 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 31.89739 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 39.76962 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 -17.93707 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 5.03477 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 12.90230 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.77589 3.71950 0.90127 31.89739 39.76962 -17.93707 5.03477 value: 3.23292600755086 0.125000000000000 0.135231401420879 f,g S 3.23292601 0.13523140 f,g F 3.18031059 0.13523140 D1, D2, P, A, A/P, sn, gs, a, d : 5.98405E-02 -7.80052E-03 5.20399E-02 5.26154E-02 1.01106E+00 8.40587E-01 -5.98405E-02 4.14118E+00 1.25000E-01 f,g G 3.18031059 0.10336346 f,g F 3.06916273 0.10336346 D1, D2, P, A, A/P, sn, gs, a, d : 1.91108E-01 -2.71584E-02 1.63950E-01 1.11148E-01 6.77939E-01 7.37805E+01 -1.91108E-01 1.19502E+00 5.00000E-01 f,g G 3.06916273 0.06863343 f,g F 3.04548763 0.06863343 D1, D2, P, A, A/P, sn, gs, a, d : 6.62408E-02 -2.80552E-02 3.81856E-02 2.36751E-02 6.20002E-01 1.03625E+02 -6.62408E-02 7.78101E-01 2.00000E+00 f,g G 3.04548763 0.04403138 f,g F 3.03064280 0.04403138 D1, D2, P, A, A/P, sn, gs, a, d : 2.53622E-02 -1.26811E-02 1.26811E-02 1.48448E-02 1.17063E+00 1.43573E+01 -2.53622E-02 1.20573E+00 8.00000E+00 f,g G 3.03064280 0.01264447 f,g F 3.02790506 0.01264447 D1, D2, P, A, A/P, sn, gs, a, d : 4.52380E-03 -2.26190E-03 2.26190E-03 2.73774E-03 1.21037E+00 1.35173E+01 -4.52380E-03 1.26642E+00 1.73111E+01 f,g G 3.02790506 0.00328213 f,g F 3.02738489 0.00328213 D1, D2, P, A, A/P, sn, gs, a, d : 9.01896E-04 -4.50948E-04 4.50948E-04 5.20178E-04 1.15352E+00 1.00655E+01 -9.01896E-04 1.18136E+00 1.73111E+01 f,g G 3.02738489 0.00078539 f,g F 3.02734526 0.00078539 D1, D2, P, A, A/P, sn, gs, a, d : 7.47353E-05 -3.73677E-05 3.73677E-05 3.96222E-05 1.06033E+00 3.88069E+00 -7.47353E-05 1.06421E+00 1.73111E+01 f,g G 3.02734526 0.00008193 f,g F 3.02734490 0.00008193 D1, D2, P, A, A/P, sn, gs, a, d : 7.15317E-07 -3.57659E-07 3.57659E-07 3.60026E-07 1.00662E+00 4.13233E-01 -7.15317E-07 1.00666E+00 1.73111E+01 f,g G 3.02734490 0.00000085 f,g F 3.02734490 0.00000085 D1, D2, P, A, A/P, sn, gs, a, d : 7.16657E-11 -3.58329E-11 3.58329E-11 3.58260E-11 9.99809E-01 4.16213E-03 -7.16657E-11 9.99809E-01 1.73111E+01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.02734490374182 nfev, nfghev: 9 9 Final value: 3.027345 After optimisation: 1 1.00000E-04 1.84868E+01 9.99900E+03 -2.16972E-07 2 0.00000E+00 9.94956E+00 9.99000E+02 3.03027E-08 3 1.00000E-04 1.03154E+00 9.99000E+02 -8.24850E-07 4 0.00000E+00 4.17544E+01 9.99000E+02 -1.99987E-08 5 0.00000E+00 3.35375E+01 9.99000E+02 -6.83448E-09 6 -9.99000E+02 -1.73343E+01 9.99000E+02 -2.27052E-09 7 -9.99000E+02 4.82208E+00 9.99000E+02 7.58814E-10 nvar, nfree, nbind: 7 7 0 Final model : 3.027345 8.63E-11 3 1 Laue 18.48678 1 0.00010 9999.00000 1 1 K_over T 16.77589 0.05432 9.94956 1 0.00000 999.00000 2 2 B_frag_imp T 3.71950 0.14417 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 1.03154 1 0.00010 999.00000 6 3 K_solv T 0.90127 0.01891 41.75439 1 0.00000 999.00000 7 4 B_solv T 31.89739 3.72149 1.0 -1 1.0 1.0 0 K_solv_imp F 33.53754 1 0.00000 999.00000 8 5 B_solv_imp T 39.76962 2.70405 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.33434 1 -999.00000 999.00000 10 6 B11_over T -17.93707 0.27596 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.82208 1 -999.00000 999.00000 12 7 B22_over T 5.03477 0.26751 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 12.51226 -1 -999.00000 999.00000 15 B33_over F 12.90230 0.00000