Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.68600 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.07490 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 0.91527 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 30.62218 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 42.37272 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 -17.80708 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 5.07340 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 12.73368 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.68600 4.07490 0.91527 30.62218 42.37272 -17.80708 5.07340 value: 3.17380747415447 0.125000000000000 0.108960788251218 f,g S 3.17380747 0.10896079 f,g F 3.11534110 0.10896079 D1, D2, P, A, A/P, sn, gs, a, d : 6.86638E-02 -1.10353E-02 5.76285E-02 5.84664E-02 1.01454E+00 2.09145E+00 -6.86638E-02 3.36672E+00 1.25000E-01 f,g G 3.11534110 0.07608489 f,g F 3.02958825 0.07608489 D1, D2, P, A, A/P, sn, gs, a, d : 1.62825E-01 -2.38338E-02 1.38992E-01 8.57529E-02 6.16964E-01 9.97357E+01 -1.62825E-01 1.05631E+00 5.00000E-01 f,g G 3.02958825 0.02419909 f,g F 3.02841639 0.02419909 D1, D2, P, A, A/P, sn, gs, a, d : 4.43016E-02 -1.99785E-02 2.43231E-02 1.17186E-03 4.81789E-02 1.28587E+02 -4.43016E-02 5.13585E-01 2.00000E+00 f,g G 3.02841639 0.05984884 f,g F 3.01014450 0.05984884 D1, D2, P, A, A/P, sn, gs, a, d : 2.99939E-02 -1.49969E-02 1.49969E-02 1.82719E-02 1.21838E+00 1.50838E+01 -2.99939E-02 1.27939E+00 1.00000E+00 f,g G 3.01014450 0.01751135 f,g F 3.00505433 0.01751135 D1, D2, P, A, A/P, sn, gs, a, d : 8.27970E-03 -4.13985E-03 4.13985E-03 5.09017E-03 1.22955E+00 1.53773E+01 -8.27970E-03 1.29795E+00 4.00000E+00 f,g G 3.00505433 0.00503514 f,g F 3.00387087 0.00503514 D1, D2, P, A, A/P, sn, gs, a, d : 2.00751E-03 -1.00375E-03 1.00375E-03 1.18346E-03 1.17904E+00 1.22017E+01 -2.00751E-03 1.21808E+00 1.60000E+01 f,g G 3.00387087 0.00132867 f,g F 3.00373333 0.00132867 D1, D2, P, A, A/P, sn, gs, a, d : 2.50790E-04 -1.25395E-04 1.25395E-04 1.37534E-04 1.09680E+00 6.38474E+00 -2.50790E-04 1.10718E+00 1.60000E+01 f,g G 3.00373333 0.00021059 f,g F 3.00372972 0.00021059 D1, D2, P, A, A/P, sn, gs, a, d : 7.08370E-06 -3.54185E-06 3.54185E-06 3.61703E-06 1.02123E+00 1.33722E+00 -7.08370E-06 1.02169E+00 1.60000E+01 f,g G 3.00372972 0.00000753 f,g F 3.00372971 0.00000753 D1, D2, P, A, A/P, sn, gs, a, d : 7.66943E-09 -3.83471E-09 3.83471E-09 3.83758E-09 1.00075E+00 4.66778E-02 -7.66943E-09 1.00075E+00 1.60000E+01 f,g G 3.00372971 0.00000001 f,g F 3.00372971 0.00000001 D1, D2, P, A, A/P, sn, gs, a, d : 9.70740E-15 -4.85370E-15 4.85370E-15 7.10543E-15 1.46392E+00 5.31521E-05 -9.70740E-15 1.86539E+00 1.60000E+01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.00372971293963 nfev, nfghev: 10 10 Final value: 3.003730 After optimisation: 1 1.00000E-04 1.86183E+01 9.99900E+03 -2.58054E-09 2 0.00000E+00 9.24232E+00 9.99000E+02 5.22172E-10 3 1.00000E-04 1.02925E+00 9.99000E+02 -8.62729E-09 4 0.00000E+00 4.41914E+01 9.99000E+02 -2.13972E-10 5 0.00000E+00 4.59949E+01 9.99000E+02 -5.54786E-11 6 -9.99000E+02 -1.70229E+01 9.99000E+02 -2.90321E-11 7 -9.99000E+02 5.05333E+00 9.99000E+02 8.75039E-12 nvar, nfree, nbind: 7 7 0 Final model : 3.003730 1.18E-14 3 1 Laue 18.61826 1 0.00010 9999.00000 1 1 K_over T 16.68600 0.05365 9.24232 1 0.00000 999.00000 2 2 B_frag_imp T 4.07490 0.13403 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 1.02925 1 0.00010 999.00000 6 3 K_solv T 0.91527 0.02038 44.19138 1 0.00000 999.00000 7 4 B_solv T 30.62218 4.02058 1.0 -1 1.0 1.0 0 K_solv_imp F 45.99494 1 0.00000 999.00000 8 5 B_solv_imp T 42.37272 3.00465 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.02289 1 -999.00000 999.00000 10 6 B11_over T -17.80708 0.26867 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.05333 1 -999.00000 999.00000 12 7 B22_over T 5.07340 0.25963 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 11.96956 -1 -999.00000 999.00000 15 B33_over F 12.73368 0.00000