software, X-ray diffraction, DIFFRAC.SUITE

EVA Software - Features

General data evaluation options:

  • Peak search and creation of peak data, e.g. for phase identification
  • Manual and fully automatic background subtraction
  • Data smoothing (Savitzky-Golay method or Fourier filtering)
  • Kα2-stripping (enhanced Rachinger method)
  • 2theta-offset and sample displacement corrections
  • Calculation of mass absorption coefficients and corresponding X-ray penetration depth into the specimen
  • Calculation of profile parameters such as line position, center of gravity, integrated area, half width and more
  • Crystallite size determination (Scherrer method)
  • Addition, subtraction, scaling, normalisation and merging of scans
  • Simultaneous evaluation of multiple scans
  • Undo / redo of all operations

Cluster analysis

  • Combine up to four XRD datasets
  • Automatic Weighting Scheme
  • Five clustering methods
  • Cluster Validation Tools
  • Customisable Analysis Methods
  • Re-run selected analysis
  • Interactive Dendrograms
  • Cell view
  • 3D MMDS Plots
  • 3D PCA Plots
  • 6D plots of sample prep info
  • Numerical Results
  • Amorphous Phases Identification
  • Reference patterns for mixtures
  • Quality Control mode
  • Report Writer
  • Online documentation, Program Tutorial
  • For more details see: Polysnap Features

Data exchange and reporting options:

  • Creation of customizable, high quality analysis reports
  • Data exchange options to and from any other Windows application: copy and paste, Windows bitmaps and metafiles
  • Display and printout of all reference database patterns
  • Data can be exported as Bruker’s .raw file format, an ASCII 2 column XY file or a 3 column XYE file

Advanced XRD2 data evaluation and display options

  • Single 2-D frame integration over gamma and 2Theta with full frame, wedge, ring and line cursor
  • Integration on merged 2-D frames with slice, wedge und ring cursor
  • Multiple integrations on stackable 2-D frames with one click
  • User configurable masks with angular or pixel coordinates
  • “Rocking curve analysis” on stackable 2-D frames with various frame properties
  • Frames are automatically grouped into mergeable or stackable lists
  • For large zoom factors the 2-D view displays the number of counts inside the pixel areas

Data display options:

  • Self explaining user interface, fully customizable by each individual user
  • Advanced picture-in-picture (PIP) and vertical-in-place (VIP) zoom options
  • Customizable 2-D and 3-D data representations (iso-intensity plots, waterfall plots)
  • Free customization of graphics and text properties for creation of publication-ready figures

Phase identification and quantitative phase analysis options:

  • Supports ICDD PDF2, ICDD PDF4 and the COD reference databases
  • Simultaneous search in multiple reference databases
  • Search on full-pattern and peak data
  • Search for solid solutions and isostructural phases
  • Highly sophisticated residual search
  • Consideration of 2theta-offset and sample displacement errors
  • Search by various selection criteria such as chemical composition, card quality marks, subfiles, and more
  • Graphical adjustment of peak positions via tuning of lattice parameters e.g. to describe solid solutions
  • Hkl-generator for calculating peak positions based on lattice parameters and space group to aid identification of missing or redundant specimen peaks
  • Interactive overlay of the search results with the measurement data for easy evaluation
  • Display of stick patterns as well as „Rietveld-type“ tick marks with hkl-indices, if available
  • Quantitative analysis based on RIR (reference intensity ratio) and spiking methods
  • Degree of crystallinity determination
  • „Combined XRD-XRF analysis“: Validation and improvement of search as well as quantitative phase analyses results using elemental analysis results; direct access to SPECTRAplus XRF databases, formatted ASCII-files, and more
  • Support of variable counting time data

Compliance

  • 21 CFR Part 11

Multilanguage support

  • Chinese, English, French, German, Japanese
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