Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.70740 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 3.75045 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 0.87199 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 28.33534 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 35.86783 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 -18.00081 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 5.17775 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 12.82305 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.70740 3.75045 0.87199 28.33534 35.86783 -18.00081 5.17775 value: 2.88524458296554 0.125000000000000 2.733789817534256E-003 f,g S 2.88524458 0.00273379 f,g F 2.88522627 0.00273379 D1, D2, P, A, A/P, sn, gs, a, d : 3.68653E-05 -1.84327E-05 1.84327E-05 1.83174E-05 9.93747E-01 1.01631E-01 -3.68653E-05 9.93786E-01 1.01631E-01 f,g G 2.88522627 0.00001049 f,g F 2.88522626 0.00001049 D1, D2, P, A, A/P, sn, gs, a, d : 7.83622E-09 -3.91811E-09 3.91811E-09 3.91815E-09 1.00001E+00 1.43479E-02 -7.83622E-09 1.00001E+00 1.01631E-01 f,g G 2.88522626 0.00000001 f,g F 2.88522626 0.00000001 D1, D2, P, A, A/P, sn, gs, a, d : 1.23535E-15 -6.17676E-16 6.17676E-16 1.33227E-15 2.15690E+00 1.16283E-05 -1.23535E-15 4.00000E+00 1.01631E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 2.88522626164405 nfev, nfghev: 3 3 Final value: 2.885226 After optimisation: 1 1.00000E-04 1.77230E+01 9.99900E+03 -5.77455E-10 2 0.00000E+00 3.72289E+00 9.99000E+02 -2.05005E-09 3 1.00000E-04 8.74962E-01 9.99000E+02 5.85482E-09 4 0.00000E+00 2.83981E+01 9.99000E+02 1.22715E-10 5 0.00000E+00 3.59316E+01 9.99000E+02 -3.83438E-11 6 -9.99000E+02 -1.79679E+01 9.99000E+02 1.92566E-11 7 -9.99000E+02 5.15625E+00 9.99000E+02 -7.97884E-12 nvar, nfree, nbind: 7 7 0 Final model : 2.885226 1.91E-15 3 1 Laue 17.72303 1 0.00010 9999.00000 1 1 K_over T 17.70740 0.04473 3.72289 1 0.00000 999.00000 2 2 B_frag_imp T 3.75045 0.07610 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 0.87496 1 0.00010 999.00000 6 3 K_solv T 0.87199 0.01411 28.39809 1 0.00000 999.00000 7 4 B_solv T 28.33534 2.44180 1.0 -1 1.0 1.0 0 K_solv_imp F 35.93160 1 0.00000 999.00000 8 5 B_solv_imp T 35.86783 1.63121 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.96795 1 -999.00000 999.00000 10 6 B11_over T -18.00081 0.22106 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.15625 1 -999.00000 999.00000 12 7 B22_over T 5.17775 0.21341 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 12.81170 -1 -999.00000 999.00000 15 B33_over F 12.82305 0.00000