software, X-ray diffraction, DIFFRAC.SUITE

DIFFRAC.TEXTURE Software - Features

Data import and pole figure generation

  • Import of 0D, 1D and 2D data files
  • Pole figures are generated from 1D data or 2D data via a single cursor-selection operation
  • Automated pole figure correction of background and defocussing
  • Direct import of pole figures (.txt format)

 

Material database

  • Comprehensive definition of crystal structures via all 230 space groups, lattice parameters and Wyckoff positions of individual atoms or ions
  • Direct import of crystal structures from .cif and .str files

 

Spherical Harmonics method

  • Approximation of the Orientation Distribution Function (ODF) by a series expansion of generalized harmonic functions
  • ODF from incomplete pole figures
  • Harmonics series expansion a maximum rank of 34. The actual possible rank depends on the crystal symmetry and number of pole figures to analyze
  • Positivity refinement option in addition for determination of the odd C-coefficients ("ghost correction")
  • Available sample symmetries: orthorhombic, monoclinic, fiber and triclinic
  • Crystal systems: cubic and hexagonal

Component Method

  • Full support of all crystal systems
  • Multiple-phase support combined with multiple components per phase enables flexible and comprehensive texture modelling of the sample
  • Texture components can be of fiber or spherical type
  • Available process symmetries: triclinic, monoclinic, orthorhombic, trigonal, tetragonal, hexagonal, axial, biaxial
  • Definition of coincidences for assignment of pole figures to multi phases
  • Non-linear least-squares fitting of pole figures with refinement of all or individual parameters of the texture components
  • Single-click assignment of additional components for further improvement of the texture model
  • Refined texture components can be stored to a database for later reuse and are instantly accessible via a drop-down list
  • Calculation of the ODF from the texture components
  • 3D visualization of the orientation of the individual texture components to support a better understanding of their orientation
  • Pie-chart representation of the component content in the pole figures, including the amorphous content

Auto indexing

  • Single-click assignment of pole figures to texture phases
  • Coincidences between different phases can be defined to support the texture analysis

 

Texture result presentation

  • Recalculation of pole figures for arbitrary reflections
  • 3D display of the ODF
  • 2D display of slices of the ODF with constant Phi1, Phi or Phi2
  • Calculation and display the inverse poles figure along the surface normal, in-plane rolling and transverse directions
  • Calculation of Kearns factors

 

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
  • Export of pole figures and ODF in .txt format

 

Operating system

  • Windows 8, 8.1 and 10 (32-bit or 64-bit)