Main program window and logbook
Figure. Main window of XRD2DScan software displaying a 2D diffraction pattern and calculated 2Theta scan of a polycrystalline sample.
Adapted to different diffractometer geometries and detector shapes
Modern X-ray diffractometers have detectors with different shapes. XRD2DScan 3.0 is adapted to different detector shapes including Flat and Curved detector geometries. Thus, it can process digitalized X-ray films collected with Debye-Scherrer cameras as well as patterns recorded with cylindrical Image Plate or flat CDD detectors.
Mineral database and identification Tool
XRD2DScan has a database with diffraction patterns of a selection of common chemicals and minerals. This database can be used to identify minerals and to correct peaks shift (in 2Theta angles) and use this information to refine experimental parameters such as sample to detector distance or detector size.
Figure. You can compare mineral pattern from the database with an experimentally measured pattern or search for the best match.
Batch processing of data files
A very useful and important feature of this software is that you can either analyze the data files one by one interactively or automatically using batch processing. Using batch processing is convenient for analyzing many data files with minimum user intervention.
Generation and analysis of pole figures
The orientation of crystals in a polycrystalline sample is adequately described using pole figures displaying the 3-D distribution of specific crystallographic directions or poles. Pole figures can be determined from a series of frames using XRD2DScan tool for the generation and analysis of pole figures.
Figure. Graphic interface of the Pole Figure Generation and Analysis Tool displaying pole figures of a mollusk shell. Below there are two plots displaying the variation of the intensity profile with Psi and Phi angles.
Automatic Masking of single crystal reflection spots
This option is useful to mask single crystal reflection superimposed to powder rings, for instance when using a diamond anvil for high pressure research. It is also useful to remove strong reflections from coarser grains and avoid their contribution to the calculated 2Theta scan.
After masking the single crystals spots using the Find and Mask tool, only peaks associated to powder rings are displayed in the calculated 2Theta scan.
(Last updated July 8, 2008)