Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.26411 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 13.19968 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 0.97248 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.52086 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 31.11412 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 -17.12077 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 4.96362 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 12.15715 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.26411 13.19968 0.97248 27.52086 31.11412 -17.12077 4.96362 value: 3.14457863963700 0.125000000000000 1.637071304133480E-004 f,g S 3.14457864 0.00016371 f,g F 3.14457805 0.00016371 D1, D2, P, A, A/P, sn, gs, a, d : 1.18427E-06 -5.92137E-07 5.92137E-07 5.91473E-07 9.98878E-01 6.79075E-02 -1.18427E-06 9.98879E-01 6.79075E-02 f,g G 3.14457805 0.00000033 f,g F 3.14457805 0.00000033 D1, D2, P, A, A/P, sn, gs, a, d : 5.97560E-12 -2.98780E-12 2.98780E-12 2.97851E-12 9.96890E-01 2.12061E-04 -5.97560E-12 9.96899E-01 6.79075E-02 CONVERGENCE: FRTOL TEST SATISFIED value: 3.14457804816097 nfev, nfghev: 2 2 Final value: 3.144578 After optimisation: 1 1.00000E-04 1.72703E+01 9.99900E+03 7.25033E-08 2 0.00000E+00 1.31812E+01 9.99000E+02 -8.78536E-08 3 1.00000E-04 9.72514E-01 9.99000E+02 3.11638E-07 4 0.00000E+00 2.75099E+01 9.99000E+02 4.16624E-09 5 0.00000E+00 3.11782E+01 9.99000E+02 -7.96927E-10 6 -9.99000E+02 -1.71226E+01 9.99000E+02 -5.89408E-10 7 -9.99000E+02 4.96358E+00 9.99000E+02 -9.20089E-10 nvar, nfree, nbind: 7 7 0 Final model : 3.144578 1.87E-12 3 1 Laue 17.27034 1 0.00010 9999.00000 1 1 K_over T 17.26411 0.06381 13.18122 1 0.00000 999.00000 2 2 B_frag_imp T 13.19968 0.22832 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 0.97251 1 0.00010 999.00000 6 3 K_solv T 0.97248 0.01856 27.50989 1 0.00000 999.00000 7 4 B_solv T 27.52086 3.54557 1.0 -1 1.0 1.0 0 K_solv_imp F 31.17816 1 0.00000 999.00000 8 5 B_solv_imp T 31.11412 2.82091 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.12258 1 -999.00000 999.00000 10 6 B11_over T -17.12077 0.30511 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.96358 1 -999.00000 999.00000 12 7 B22_over T 4.96362 0.29603 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 12.15900 -1 -999.00000 999.00000 15 B33_over F 12.15715 0.00000