Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.14947 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.53199 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 0.92816 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 31.21369 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 43.61205 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 -17.69871 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 5.02051 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 12.67820 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.14947 4.53199 0.92816 31.21369 43.61205 -17.69871 5.02051 value: 2.91754173970435 0.125000000000000 2.024679613530190E-004 f,g S 2.91754174 0.00020247 f,g F 2.91754110 0.00020247 D1, D2, P, A, A/P, sn, gs, a, d : 1.29208E-06 -6.46038E-07 6.46038E-07 6.44279E-07 9.97277E-01 1.81344E-02 -1.29208E-06 9.97284E-01 1.81344E-02 f,g G 2.91754110 0.00000079 f,g F 2.91754110 0.00000079 D1, D2, P, A, A/P, sn, gs, a, d : 2.24297E-11 -1.12149E-11 1.12149E-11 1.12124E-11 9.99777E-01 1.60486E-04 -2.24297E-11 9.99777E-01 1.81344E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 2.91754109541407 nfev, nfghev: 2 2 Final value: 2.917541 After optimisation: 1 1.00000E-04 1.71472E+01 9.99900E+03 -4.43319E-08 2 0.00000E+00 4.52112E+00 9.99000E+02 -4.69834E-07 3 1.00000E-04 9.27983E-01 9.99000E+02 6.32910E-07 4 0.00000E+00 3.12254E+01 9.99000E+02 8.60020E-09 5 0.00000E+00 4.36055E+01 9.99000E+02 -3.46380E-09 6 -9.99000E+02 -1.77039E+01 9.99000E+02 -8.76614E-09 7 -9.99000E+02 5.02147E+00 9.99000E+02 -1.09356E-09 nvar, nfree, nbind: 7 7 0 Final model : 2.917541 1.59E-11 3 1 Laue 17.14722 1 0.00010 9999.00000 1 1 K_over T 17.14947 0.04505 4.52112 1 0.00000 999.00000 2 2 B_frag_imp T 4.53199 0.09145 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 0.92798 1 0.00010 999.00000 6 3 K_solv T 0.92816 0.01618 31.22540 1 0.00000 999.00000 7 4 B_solv T 31.21369 2.88806 1.0 -1 1.0 1.0 0 K_solv_imp F 43.60547 1 0.00000 999.00000 8 5 B_solv_imp T 43.61205 2.00760 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.70391 1 -999.00000 999.00000 10 6 B11_over T -17.69871 0.22765 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.02147 1 -999.00000 999.00000 12 7 B22_over T 5.02051 0.22038 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 12.68244 -1 -999.00000 999.00000 15 B33_over F 12.67820 0.00000