Overview
The STOE Powder Diffraction Software Package WinXPOW is a state-of-the-art Windows application. It is extremely user-friendly, easy to use, yet flexible and powerful. One computer can simultaneously control two diffractometers and the measurement results can be easily incorporated into other standard Windows applications. The software comes as complete package for data collection and evaluation.
FEATURES
- Instrument configuration
- Diffractometer control / data collection / detector calibration
- Graphics incl. peak search, smoothing, background subtraction
- 3D graphics
- Raw data handling with import/export of data in various formats
- Profile fitting
- Indexing and lattice constants refinement
- Theoretical pattern generation
- Size/strain analysis
- Crystallinity analysis
- Retained Austenite Analysis
- Optional CFR21 part 11 compliant GMP package available
Features
DATA ACQUISITION
- Versatile and intuitive interface to the STADI P diffractometer series. Easy access and control of the diffractometer and the attached equipment
- Supports a wide range of sample configurations like Transmission, Debye-Scherrer and Reflection
- For 2θ/ω, θ/2θ, θ and ω scans
- Automated temperature scans with various low and high temperature devices
- Measurements with sample changers can be performed directly, or executed through external programs via batch-files
- Fully automated calibration: zero-point correction within a few minutes
- Data reduction tools comprising background editing, absorption, dead time as well as angle correction and, if necessary, Kα2 stripping
- Complete files or selected ranges may be merged, added or subtracted
- Easy conversion of the STOE raw data format into other data formats, i.e., for importing in common Rietveld programs
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Presentation
- Powerful graphics program for visualization and presentation of collected data
- Visualization of a variety of different data sets like measured data, peak data or data imported from ICDD databases
- Basic data evaluation like peak search or background editing
- All data sets are very easily arranged or labeled, with different axis scales, colors, etc.
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- Easily accessible 3D-Graphics visualization programm
- Flexible choice of perspective, scaling and labelling option of a ‘top-down’ view on a set of data curves (Guinier-plot)
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EVALUATION
- As pattern indexing and space group determination is often the rate limiting step in structure determination from powder data, WinXPOW, with SystEval, offers a powerful tool for peak searching, indexing with three different well-known algorithms, cell refinement and determination of extinction symbols
- All performed with full pattern refinement
- Offers either a direct step by step guided way through the evaluation process, where most parameters are chosen by the program, or the expert mode, where the user has access to nearly all parameters of the algorithms
- Profile fitting and indexing also available as stand-alone modules Size-Strain / Crystallinity
- Evaluation of size/strain measurements
- Determination of the state of crystallinity theoretical pattern
- Calculation of a theoretical pattern from given metric and atomic positions
- Easy import from CIF files
Optional modules
- Based on the ICDD PDF databases, phase analysis from observed powder patterns is combined with convenient database browsing
- A powerful search and match algorithm performs searches for phases of given chemical composition, mineral names or other criteria
- Semi quantitative results are calculated from the phases’ tabulated I/Icor values
- The database can be easily enhanced with own phases
- Direct import of measured .raw files Into the program
- Import of single or multi range files as well as series from repetition or non-ambient measurements
- 2D or 3D data can be visualized with a powerful new graphics chart
- One-click solution for an entire phase analysis using the ICDD database, the public COD database or your own database
- Expert mode enables conducting each step of the phase analysis manually using own experience and additional knowledge about the phases
- A powerful Bayesian algorithm searches the entire databases in fractions of seconds and ranks all possible phases by probability
- Plausibility of results can easily be checked by performing a full pattern fitting
- Projects, measurement files and databases can be saved in an SQL database, accessible even from other PCs within the network or shareable as a file with other people using Search/Match2
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- High throughput analysis module allows phase identification, similarity checks and intensity analysis-performed on free grid of up to 96 sample wells
- Optimized graphical representation of results by easy adjustment of parameters for each analysis
- The module Layer allows evaluation of thickness, density and roughness from reflectometry scans using an optimized least squares approach
- For samples of unknown composition or with unknown layers, the simulation of theoretical patterns is the first step towards identification
- Powerful graphics program for visualization and presentation of collected data
- Visualization of a variety of different data sets like measured data, peak data or data imported from ICDD databases
- Basic data evaluation like peak search or background editing
- All data sets are very easily arranged or labeled, with different axis scales, colors, etc.
- Easily accessible 3D-Graphics visualization programm
- Flexible choice of perspective, scaling and labelling option of a ‘top-down’ view on a set of data curves (Guinier-plot)
