Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.72025 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.60565 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 0.90218 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 33.51087 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 36.75841 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 -17.95998 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 5.00355 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 12.95643 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.72025 3.60565 0.90218 33.51087 36.75841 -17.95998 5.00355 value: 3.15961887658635 0.125000000000000 0.109469363334974 f,g S 3.15961888 0.10946936 f,g F 3.11011145 0.10946936 D1, D2, P, A, A/P, sn, gs, a, d : 6.00530E-02 -1.19207E-02 4.81323E-02 4.95074E-02 1.02857E+00 9.56302E-01 -6.00530E-02 2.84730E+00 1.25000E-01 f,g G 3.11011145 0.06797671 f,g F 3.05757485 0.06797671 D1, D2, P, A, A/P, sn, gs, a, d : 1.31280E-01 3.53516E-02 1.66632E-01 5.25366E-02 3.15286E-01 1.17932E+02 -1.31280E-01 8.33593E-01 5.00000E-01 f,g G 3.05757485 0.03172775 f,g F 3.08190606 0.03172775 D1, D2, P, A, A/P, sn, gs, a, d : 6.10245E-02 -1.90407E-02 4.19838E-02 -2.43312E-02 -5.79538E-01 1.46186E+02 -6.10245E-02 3.57472E-01 2.00000E+00 f,g F 3.08190606 0.03172775 D1, D2, P, A, A/P, sn, gs, a, d : 6.10245E-02 -1.90407E-02 4.19838E-02 -2.43312E-02 -5.79538E-01 1.46186E+02 -6.10245E-02 3.57472E-01 1.00000E+00 OPTIMIZER: Predicting identical change: recomputing... D1, D2, P, A, A/P, sn, gs, a, d : 1.91576E-02 -1.35653E-02 5.59223E-03 -2.43312E-02 -4.35089E+00 1.46186E+02 -1.91576E-02 2.50000E-01 5.00000E-01 f,g F 3.11092136 0.03172775 D1, D2, P, A, A/P, sn, gs, a, d : 1.91576E-02 -1.35653E-02 5.59223E-03 -5.33465E-02 -9.53939E+00 1.46186E+02 -1.91576E-02 2.50000E-01 2.50000E-01 OPTIMIZER: Predicting identical change: recomputing... D1, D2, P, A, A/P, sn, gs, a, d : 1.91576E-02 -1.35653E-02 5.59223E-03 -5.33465E-02 -9.53939E+00 1.46186E+02 -1.91576E-02 2.50000E-01 1.25000E-01 OPTIMIZER: Predicting identical change: recomputing... D1, D2, P, A, A/P, sn, gs, a, d : 1.91576E-02 -1.35653E-02 5.59223E-03 -5.33465E-02 -9.53939E+00 1.46186E+02 -1.91576E-02 2.50000E-01 6.25000E-02 f,g F 3.06283497 0.03172775 D1, D2, P, A, A/P, sn, gs, a, d : 2.43743E-02 -1.44587E-03 2.29284E-02 -5.26012E-03 -2.29415E-01 1.23608E+02 -2.43743E-02 4.11250E-01 3.12500E-02 f,g F 3.04710431 0.03172775 D1, D2, P, A, A/P, sn, gs, a, d : 1.22375E-02 -3.52882E-04 1.18846E-02 1.04705E-02 8.81020E-01 6.18039E+01 -1.22375E-02 3.46296E+00 1.56250E-02 f,g G 3.04710431 0.03458519 f,g F 3.03599916 0.03458519 D1, D2, P, A, A/P, sn, gs, a, d : 1.34018E-02 -2.41618E-03 1.09856E-02 1.11051E-02 1.01088E+00 9.31028E+00 -1.34018E-02 2.91767E+00 6.25000E-02 f,g G 3.03599916 0.01755757 f,g F 3.02315135 0.01755757 D1, D2, P, A, A/P, sn, gs, a, d : 2.20744E-02 -1.10372E-02 1.10372E-02 1.28478E-02 1.16404E+00 1.95976E+01 -2.20744E-02 1.19624E+00 2.50000E-01 f,g G 3.02315135 0.00715179 f,g F 3.02093363 0.00715179 D1, D2, P, A, A/P, sn, gs, a, d : 3.73552E-03 -1.86776E-03 1.86776E-03 2.21772E-03 1.18737E+00 1.36747E+01 -3.73552E-03 1.23057E+00 1.00000E+00 f,g G 3.02093363 0.00462752 f,g F 3.02061027 0.00462752 D1, D2, P, A, A/P, sn, gs, a, d : 5.79877E-04 -2.89939E-04 2.89939E-04 3.23363E-04 1.11528E+00 7.36687E+00 -5.79877E-04 1.13030E+00 4.00000E+00 f,g G 3.02061027 0.00111359 f,g F 3.02059794 0.00111359 D1, D2, P, A, A/P, sn, gs, a, d : 2.39568E-05 -1.19784E-05 1.19784E-05 1.23252E-05 1.02895E+00 1.65925E+00 -2.39568E-05 1.02982E+00 8.32677E+00 f,g G 3.02059794 0.00005373 f,g F 3.02059792 0.00005373 D1, D2, P, A, A/P, sn, gs, a, d : 4.86320E-08 -2.43160E-08 2.43160E-08 2.43495E-08 1.00138E+00 7.48173E-02 -4.86320E-08 1.00138E+00 8.32677E+00 f,g G 3.02059792 0.00000011 f,g F 3.02059792 0.00000011 D1, D2, P, A, A/P, sn, gs, a, d : 2.07747E-13 -1.03874E-13 1.03874E-13 9.54792E-14 9.19185E-01 1.52625E-04 -2.07747E-13 9.25228E-01 8.32677E+00 CONVERGENCE: FRTOL TEST SATISFIED value: 3.02059791650586 nfev, nfghev: 14 10 Final value: 3.020598 After optimisation: 1 1.00000E-04 1.80041E+01 9.99900E+03 7.38708E-09 2 0.00000E+00 8.84477E+00 9.99000E+02 -3.81348E-09 3 1.00000E-04 1.00416E+00 9.99000E+02 -1.13546E-07 4 0.00000E+00 4.28788E+01 9.99000E+02 -3.70911E-10 5 0.00000E+00 2.77643E+01 9.99000E+02 -1.58936E-09 6 -9.99000E+02 -1.75352E+01 9.99000E+02 -1.91553E-12 7 -9.99000E+02 4.74872E+00 9.99000E+02 4.69891E-12 nvar, nfree, nbind: 7 7 0 Final model : 3.020598 4.88E-13 3 1 Laue 18.00407 1 0.00010 9999.00000 1 1 K_over T 16.72025 0.05059 8.84477 1 0.00000 999.00000 2 2 B_frag_imp T 3.60565 0.13239 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 1.00416 1 0.00010 999.00000 6 3 K_solv T 0.90218 0.01717 42.87876 1 0.00000 999.00000 7 4 B_solv T 33.51087 3.49561 1.0 -1 1.0 1.0 0 K_solv_imp F 27.76426 1 0.00000 999.00000 8 5 B_solv_imp T 36.75841 2.25707 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.53521 1 -999.00000 999.00000 10 6 B11_over T -17.95998 0.26920 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.74872 1 -999.00000 999.00000 12 7 B22_over T 5.00355 0.26139 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 12.78649 -1 -999.00000 999.00000 15 B33_over F 12.95643 0.00000