Details of MaxLik refinement

Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 16.58985 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 4.57078 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 0.91826 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 29.90287 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 41.56056 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 -17.67119 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 5.05691 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 12.61428 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 16.58985 4.57078 0.91826 29.90287 41.56056 -17.67119 5.05691 value: 3.25745610091905 0.125000000000000 0.112226949167489 f,g S 3.25745610 0.11222695 f,g F 3.19448512 0.11222695 D1, D2, P, A, A/P, sn, gs, a, d : 7.27814E-02 -1.05930E-02 6.21885E-02 6.29710E-02 1.01258E+00 1.93132E+00 -7.27814E-02 3.70939E+00 1.25000E-01 f,g G 3.19448512 0.08161939 f,g F 3.07506262 0.08161939 D1, D2, P, A, A/P, sn, gs, a, d : 2.11083E-01 -8.62767E-02 1.24806E-01 1.19422E-01 9.56863E-01 5.71640E+01 -2.11083E-01 1.15144E+00 5.00000E-01 f,g G 3.07506262 0.03753651 f,g F 3.05842434 0.03753651 D1, D2, P, A, A/P, sn, gs, a, d : 4.29725E-02 -2.12687E-02 2.17039E-02 1.66383E-02 7.66605E-01 8.75028E+01 -4.29725E-02 8.15906E-01 2.00000E+00 f,g G 3.05842434 0.02148720 f,g F 3.04943567 0.02148720 D1, D2, P, A, A/P, sn, gs, a, d : 1.53655E-02 -7.68274E-03 7.68274E-03 8.98868E-03 1.16998E+00 1.62374E+01 -1.53655E-02 1.20479E+00 8.00000E+00 f,g G 3.04943567 0.00665801 f,g F 3.04753502 0.00665801 D1, D2, P, A, A/P, sn, gs, a, d : 3.06448E-03 -1.53224E-03 1.53224E-03 1.90065E-03 1.24044E+00 1.65143E+01 -3.06448E-03 1.31655E+00 1.95627E+01 f,g G 3.04753502 0.00232124 f,g F 3.04703175 0.00232124 D1, D2, P, A, A/P, sn, gs, a, d : 8.51779E-04 -4.25890E-04 4.25890E-04 5.03271E-04 1.18169E+00 1.39710E+01 -8.51779E-04 1.22204E+00 2.17420E+01 f,g G 3.04703175 0.00083199 f,g F 3.04697585 0.00083199 D1, D2, P, A, A/P, sn, gs, a, d : 1.03533E-04 -5.17665E-05 5.17665E-05 5.58973E-05 1.07980E+00 6.19282E+00 -1.03533E-04 1.08672E+00 2.17420E+01 f,g G 3.04697585 0.00011699 f,g F 3.04697493 0.00011699 D1, D2, P, A, A/P, sn, gs, a, d : 1.81675E-06 -9.08375E-07 9.08375E-07 9.19225E-07 1.01194E+00 8.91151E-01 -1.81675E-06 1.01209E+00 2.17420E+01 f,g G 3.04697493 0.00000214 f,g F 3.04697493 0.00000214 D1, D2, P, A, A/P, sn, gs, a, d : 6.00831E-10 -3.00416E-10 3.00416E-10 3.00477E-10 1.00021E+00 1.62674E-02 -6.00831E-10 1.00021E+00 2.17420E+01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.04697492944781 nfev, nfghev: 9 9 Final value: 3.046975 After optimisation: 1 1.00000E-04 1.84898E+01 9.99900E+03 -5.67075E-07 2 0.00000E+00 1.16258E+01 9.99000E+02 4.93454E-08 3 1.00000E-04 1.07456E+00 9.99000E+02 -2.06355E-06 4 0.00000E+00 5.33648E+01 9.99000E+02 -4.21726E-08 5 0.00000E+00 3.25391E+01 9.99000E+02 -1.61021E-08 6 -9.99000E+02 -1.73568E+01 9.99000E+02 -5.18950E-09 7 -9.99000E+02 4.97382E+00 9.99000E+02 2.93627E-09 nvar, nfree, nbind: 7 7 0 Final model : 3.046975 7.01E-10 3 1 Laue 18.48982 1 0.00010 9999.00000 1 1 K_over T 16.58985 0.05520 11.62582 1 0.00000 999.00000 2 2 B_frag_imp T 4.57078 0.15915 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 1.07456 1 0.00010 999.00000 6 3 K_solv T 0.91826 0.02150 53.36476 1 0.00000 999.00000 7 4 B_solv T 29.90287 4.98297 1.0 -1 1.0 1.0 0 K_solv_imp F 32.53907 1 0.00000 999.00000 8 5 B_solv_imp T 41.56056 3.14909 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.35677 1 -999.00000 999.00000 10 6 B11_over T -17.67119 0.28456 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.97382 1 -999.00000 999.00000 12 7 B22_over T 5.05691 0.27565 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 12.38294 -1 -999.00000 999.00000 15 B33_over F 12.61428 0.00000