Overview
The excellent and comprehensive software package STOE X-AREA has been designed to drive the latest STOE single-crystal diffractometers such as the STADIVARI (equipped with – for example – one or two microfocus sources and a rapid state-of-the-art hybrid photon counting detector), as well as the IPDS II/2T (containing well proven image-plate detectors). Moreover, STOE X-AREA offers planning and performing of accurate measurements, precise frame evaluation, data analyses as well as sophisticated corrections of intensity-data sets and many more features in order to obtain highest-possible data quality.
FEATURES
- Superior data quality, unlimited number of reflections in lattice parameter refinement
- Two indexing methods available: either graphics-supported or automated
- Use of elliptical reflection profiles and Kα1/2-splitting option for integration process
- Graphical tools for the analysis of intensity-data quality
- Using the well-designed GUI during measurement and data processing offers better control of the instrument and easier analysis of the measured data
- High flexibility due to dynamic memory management
- Full integration of STOE’s FaceitVideo
Features
DATA ACQUISITION
- 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 clicks in the measurement program
- Frames with 32 bits per pixel allow an extensive dynamic range and thus 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 data collection
- Now including the “End-Date Wizard” to help you find measurement parameters that not only result in highest data quality, but also the most efficient use of your time
presentation
- 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
IMAGE PROCESSING
- 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
- 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
DATA ANALYSIS
- E-statistics plot to visually discern centric from acentric structures
- Analyzer for convenient determination of the correct Laue group
- Automated space-group determination
- Display of peaks in reciprocal-space viewer
- Reciprocal space reconstruction to inspect difficult diffraction patterns
- Transformation of frame pixels into “powder diagrams”
CORRECTIONS
- Fully automated 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 for crystal decomposition
- Rejection of outliers
CHALLENGING Structures
- Semi-automated indexing of peaks from the individual domains
- Simultaneous integration of intensities from up to eight individuals, full graphics control
- Intensity scaling based on sets of symmetry related reflections
- 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 modulated
- 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
