Anisotropy of the Diffraction Limit
Bayesian Estimation of Structure Amplitudes

Results obtained from the STARANISO server contributed by our users.

(Click the images to enlarge.)

Shown below are views of the intensity data in 3D reciprocal space provided by STARANISO and displayed by OpenAstexViewer as interactive Java applets embedded in the web page.  On the left is the colour-coded distribution of the local mean value of I/σ(I), and on the right is shown the Debye-Waller factor.  These indicate substantial anisotropy, as evidenced by significantly differing resolution limits along the a*, b* and c* axes (space group: C2221). Shown below are the electron-density maps before (mauve) and after (blue) invocation of STARANISO.  Both maps are contoured at 1.5 RMSD, corresponding to absolute contour levels of 0.1125Å-3 for the original map and 0.1602Å-3 for the map after treatment of the intensity data by STARANISO.  The Rwork/Rfree values after the two BUSTER refinements that produced these maps are 0.3406/0.3626 and 0.3109/0.3264 respectively.