Reciprocal Space Viewer

For each data collection it is possible to access an online reciprocal space viewer for quick review of diffraction spots. To access click Attachments, then view file. This opens a UglyMol reciprocal space viewer:

Reciprocal space is a Fourier transform representation of real space, describing spatial variation in terms of frequencies and length scales rather than positions. Rather than showing exact atomic coordinates, it highlights the periodic arrangement of a crystal and is directly related to the real‑space unit cell. Viewing diffraction data in reciprocal space allows you to quickly diagnose potential problems that may require specific data‑processing approaches.

In the viewer, first rotate the reciprocal lattice until one of the unit cell axes points directly into the screen. For data from a single crystal, this orientation is easy to recognise, as a regular lattice pattern becomes apparent. If diffraction points are widely spaced along a given lattice direction, this corresponds to a short unit cell axis in real space. Conversely, closely spaced points indicate a long unit cell axis.

If you see hollow spherical shells (rings) surrounding the main lattice, this is diagnostic of ice diffraction and does not originate from the crystal itself.

Overlapping lines or multiple sets of lattice points indicate the presence of multiple lattices, which may require additional attention during data processing. There are a range of Useful Tutorials available which can help here.