Software X-Area

• Intuitive interface to the diffractometer, offering direct access to all functions
• Easy centering of the sample with the aid of the integrated FaceitVideo function
• Automated data collection is started with just a few steps in the measuring program
• Frames with 32 bits per pixel facilitate high data accuracy
• User-friendly GUI optimizes the run strategy (e.g. in terms of high data completeness according to the crystal system and orientation), allowing faster and more dedicated collection of the data

Crystal Monitoring

Video-camera signal to enable user-friendly crystal centering or even face indexing, if needed.

Run optimizer

Powerful tool for enabling time-optimized data collection

• X-Area offers a comprehensive graphics program for the inspection of collected frames
• Interactive display options provide an easy-to-use way for checking the quality of the crystal to be investigated, e.g. unexpected splitting of reflections can easily be examined
• Diffraction patterns can be checked for anomalous effects, such as diffuse scattering

Reflection inspection

Sophisticated graphics software for a closer look on the frames

• Peak-finding routine scans frames rapidly in multi-processing mode
• Resulting peaks can be indexed either automatically or based on a robust graphics method
• Unit-cell parameters are refined according to the crystal system
• Unlimited number of peaks for the refinement

Robust indexing

Graphics supported indexing enables full user control of the crystal quality

Control by graphics

During indexing, special effects such as satellites may easily be detected

• Use of elliptical reflection profiles and Kα1/2-splitting option for integration process
• Automated optimization of integration parameters
• Self-acting detection of reflection overlap
• Graphical control over the integration process
• Masking of user-specified detector areas possible
• Support of high-pressure cells by automatically calculated shading masks
• SHELX-compatible intensity data file by default
• XD-compatible file as an option

Reflection integration

Reliable integration procedure provides accurate intensity data set

• E-statistics plot in order to decide whether space group is centrosymmetric
• Analyzer for convenient determination of the correct Laue group
• Automated space-group determination
• Display of peaks in reciprocal-space viewer
• Difficult patterns can be inspected with the aid of layer representations in a reciprocal-space coordinate system, built from pixels of the collected frames
• Transformation of frame pixels into “powder diagrams”

Laue analyzer

Quick and easy check of the Laue group

• LP and air-absorption correction
• Crystal-dependent absorption correction (numerical correction or intensity scaling based on spherical harmonics in conjunction with symmetry-related reflections)
• Automated version of STOE’s X-Shape
• Inter-frame scaling, based on polynomials
• Correction of crystal decomposition
• Rejection of outliers

X-Shape

Automated crystal-shape optimization for numerical absorption correction

• Semi-automated indexing of peaks of the individual domains
• Simultaneous integration of intensities from up to eight individuals, full graphics control
• Intensity scaling based on sets of symmetry related
  reflections

Diagnostic diagrams

After scaling intensity data, the improvement can be checked visually

• Evaluation of the main lattice
• Determination and refinement of up to 3 q vectors
• Integration of main reflections as well as satellites
• Ability to process patterns from multi-domain crystals being incommensurately modulated

Multi-Domain integration

Example of a two-domain integration (turquois: groups of overlapping reflections)