Chemical Crystallography

Data Integration

Data Integration
Data Integration

Reflections have a three-dimensional intensity distribution. Bruker software is dedicated to preserving this information by acquiring diffraction images in fine slices — a few tenths of a degree apiece. Data collected with wide frames lacks 3D information because spot shapes are reduced to their 2D projections.

Best possible extraction of weak reflection intensities

Our integration software extracts the 3D spot profiles and their intensity distribution, and learns 2theta-dependent profiles from strong, well-defined reflections in your data set. The software fits the “learnt profiles” to weak reflections using least-squares methods. This provides the best possible extraction of weak reflection intensities. Particularly for challenging samples — where every reflection counts — this approach makes a big difference, and our data quality always prevails.

Our software is the only package that applies profile information for twinned, split, or modulated crystal data.

More data integration features

  • On-the-fly integration with intensive feedback including integration progress and quality
  • 3D reflection profiles
  • Multiple component spot overlays

More Information

Read more on the Reciprocal Space Investigation Tools — Another feature of our APEX2 software

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