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Related Concept Videos

X-ray Diffraction of Biological Samples01:10

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X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
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Updated: Sep 7, 2025

Author Spotlight: Accelerating Discovery in Microporous Material Chemistry
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pdCIFplotter: visualizing powder diffraction data in pdCIF format.

Matthew R Rowles1

  • 1John de Laeter Centre, Curtin University, GPO Box U1987, Perth, WA 6845, Australia.

Journal of Applied Crystallography
|June 20, 2022
PubMed
Summary
This summary is machine-generated.

pdCIFplotter visualizes powder diffraction data and models from powder CIF format. It supports multi-pattern datasets, like in situ experiments, using stack and surface plots for enhanced analysis.

Keywords:
CIFdata visualizationpdCIFpowder diffraction

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Area of Science:

  • Crystallography
  • Materials Science
  • Data Visualization

Background:

  • Powder diffraction data is crucial for materials characterization.
  • Standardized data formats like Crystallographic Information File (CIF) are essential for data sharing.
  • Visualizing complex datasets, especially from in situ experiments, presents challenges.

Purpose of the Study:

  • To introduce pdCIFplotter, a novel software tool for visualizing powder diffraction data.
  • To enable the visualization of data and models stored in the powder CIF (pdCIF) format.
  • To provide enhanced visualization capabilities for multi-pattern datasets.

Main Methods:

  • The study describes the development and features of the pdCIFplotter program.
  • The software utilizes Python 3 for broad compatibility.
  • It implements stack and surface plotting techniques for multi-pattern visualization.

Main Results:

  • pdCIFplotter facilitates the visualization of powder diffraction data and models in pdCIF format.
  • The program effectively handles multi-pattern datasets, including those from in situ experiments.
  • TOPAS macros for generating pdCIF files are also presented, aiding data production.

Conclusions:

  • pdCIFplotter offers a valuable tool for researchers working with powder diffraction data.
  • The software enhances the analysis of complex and time-resolved diffraction experiments.
  • Its compatibility and features streamline the workflow for data visualization and interpretation.