Details of MaxLik refinement

Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.57374 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 2.60285 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 0.89561 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 32.87307 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 27.51394 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 -17.92059 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 4.97126 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 12.94933 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.57374 2.60285 0.89561 32.87307 27.51394 -17.92059 4.97126 value: 3.70761090988456 0.125000000000000 0.409430920292414 f,g S 3.70761091 0.40943092 f,g F 3.57475120 0.40943092 D1, D2, P, A, A/P, sn, gs, a, d : 1.25146E-01 1.15143E-02 1.36660E-01 1.32860E-01 9.72192E-01 2.57187E+00 -1.25146E-01 4.00000E+00 1.25000E-01 f,g G 3.57475120 0.44033238 f,g F 3.26840736 0.44033238 D1, D2, P, A, A/P, sn, gs, a, d : 4.38113E-01 1.31743E-01 5.69856E-01 3.06344E-01 5.37581E-01 2.07578E+01 -4.38113E-01 1.66243E+00 5.00000E-01 f,g G 3.26840736 0.17425335 f,g F 3.16408219 0.17425335 D1, D2, P, A, A/P, sn, gs, a, d : 1.81051E-01 -9.05253E-02 9.05253E-02 1.04325E-01 1.15244E+00 6.15164E+00 -1.81051E-01 1.17986E+00 2.00000E+00 f,g G 3.16408219 0.06348100 f,g F 3.25871819 0.06348100 D1, D2, P, A, A/P, sn, gs, a, d : 6.44422E-01 -3.14303E-01 3.30119E-01 -9.46360E-02 -2.86672E-01 5.41353E+01 -6.44422E-01 4.35975E-01 7.25808E+00 f,g F 3.25871819 0.06348100 D1, D2, P, A, A/P, sn, gs, a, d : 6.44422E-01 -3.14303E-01 3.30119E-01 -9.46360E-02 -2.86672E-01 5.41353E+01 -6.44422E-01 4.35975E-01 3.62904E+00 OPTIMIZER: Predicting identical change: recomputing... D1, D2, P, A, A/P, sn, gs, a, d : 6.44422E-01 -3.14303E-01 3.30119E-01 -9.46360E-02 -2.86672E-01 5.41353E+01 -6.44422E-01 4.35975E-01 1.81452E+00 OPTIMIZER: Predicting identical change: recomputing... D1, D2, P, A, A/P, sn, gs, a, d : 6.44422E-01 -3.14303E-01 3.30119E-01 -9.46360E-02 -2.86672E-01 5.41353E+01 -6.44422E-01 4.35975E-01 9.07260E-01 OPTIMIZER: Predicting identical change: recomputing... D1, D2, P, A, A/P, sn, gs, a, d : 2.98948E-01 3.65333E-02 3.35481E-01 -9.46360E-02 -2.82090E-01 3.37307E+01 -2.98948E-01 3.79777E-01 4.53630E-01 f,g F 3.22475033 0.06348100 D1, D2, P, A, A/P, sn, gs, a, d : 1.47991E-01 2.62333E-02 1.74224E-01 -6.06681E-02 -3.48218E-01 1.93696E+01 -1.47991E-01 3.54624E-01 2.26815E-01 f,g F 3.18732620 0.06348100 D1, D2, P, A, A/P, sn, gs, a, d : 7.60105E-02 6.30710E-03 8.23176E-02 -2.32440E-02 -2.82370E-01 9.68865E+00 -7.60105E-02 3.82907E-01 1.13408E-01 f,g F 3.15765460 0.06348100 D1, D2, P, A, A/P, sn, gs, a, d : 3.63979E-02 1.62479E-03 3.80227E-02 6.42758E-03 1.69046E-01 4.79773E+00 -3.63979E-02 6.07232E-01 5.67038E-02 f,g G 3.15765460 0.05155026 f,g F 3.15255073 0.05155026 D1, D2, P, A, A/P, sn, gs, a, d : 5.54550E-03 -4.43771E-04 5.10173E-03 5.10387E-03 1.00042E+00 1.93811E+00 -5.54550E-03 6.27842E+00 2.83519E-02 f,g G 3.15255073 0.04279182 f,g F 3.13972809 0.04279182 D1, D2, P, A, A/P, sn, gs, a, d : 1.99492E-02 -7.75751E-03 1.21917E-02 1.28226E-02 1.05176E+00 1.39360E+01 -1.99492E-02 1.39964E+00 1.13408E-01 f,g G 3.13972809 0.00831727 f,g F 3.13718788 0.00831727 D1, D2, P, A, A/P, sn, gs, a, d : 4.60838E-03 -2.30419E-03 2.30419E-03 2.54020E-03 1.10243E+00 1.02138E+01 -4.60838E-03 1.11412E+00 4.53630E-01 f,g G 3.13718788 0.00054545 f,g F 3.13710120 0.00054545 D1, D2, P, A, A/P, sn, gs, a, d : 1.67390E-04 -8.36951E-05 8.36951E-05 8.66820E-05 1.03569E+00 2.38847E+00 -1.67390E-04 1.03701E+00 1.81452E+00 f,g G 3.13710120 0.00004257 f,g F 3.13710088 0.00004257 D1, D2, P, A, A/P, sn, gs, a, d : 6.26829E-07 -3.13414E-07 3.13414E-07 3.14644E-07 1.00392E+00 2.25994E-01 -6.26829E-07 1.00394E+00 2.47686E+00 f,g G 3.13710088 0.00000050 f,g F 3.13710088 0.00000050 D1, D2, P, A, A/P, sn, gs, a, d : 2.50461E-11 -1.25231E-11 1.25231E-11 1.25011E-11 9.98248E-01 1.73834E-03 -2.50461E-11 9.98251E-01 2.47686E+00 CONVERGENCE: FRTOL TEST SATISFIED value: 3.13710088456178 nfev, nfghev: 14 10 Final value: 3.137101 After optimisation: 1 1.00000E-04 1.82210E+01 9.99900E+03 6.21965E-08 2 0.00000E+00 1.37032E+01 9.99000E+02 -6.12210E-08 3 1.00000E-04 1.05042E+00 9.99000E+02 -4.94798E-07 4 0.00000E+00 2.91288E+01 9.99000E+02 -5.23716E-09 5 0.00000E+00 3.81352E+01 9.99000E+02 -1.32975E-08 6 -9.99000E+02 -1.82380E+01 9.99000E+02 2.02121E-10 7 -9.99000E+02 5.86824E+00 9.99000E+02 3.52897E-10 nvar, nfree, nbind: 7 7 0 Final model : 3.137101 2.96E-11 3 1 Laue 18.22096 1 0.00010 9999.00000 1 1 K_over T 16.57374 0.06253 13.70322 1 0.00000 999.00000 2 2 B_frag_imp T 2.60285 0.21864 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 1.05042 1 0.00010 999.00000 6 3 K_solv T 0.89561 0.02254 29.12881 1 0.00000 999.00000 7 4 B_solv T 32.87307 4.67666 1.0 -1 1.0 1.0 0 K_solv_imp F 38.13523 1 0.00000 999.00000 8 5 B_solv_imp T 27.51394 3.25771 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -18.23805 1 -999.00000 999.00000 10 6 B11_over T -17.92059 0.29586 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.86824 1 -999.00000 999.00000 12 7 B22_over T 4.97126 0.28981 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 12.36980 -1 -999.00000 999.00000 15 B33_over F 12.94933 0.00000