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X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

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.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal crystal...
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In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...

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Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography
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RDFTools: a software tool for quantifying short-range ordering in amorphous materials.

D R G Mitchell1, T C Petersen

  • 1Australian Center for Microscopy and Microanalysis, University of Sydney, Sydney, New South Wales 2006, Australia. drg.mitchell@sydney.edu.au

Microscopy Research and Technique
|July 16, 2011
PubMed
Summary
This summary is machine-generated.

RDFTools is a new software package for analyzing electron diffraction patterns of disordered solids. It enables rapid, in situ measurements of atomic distances and coordination numbers, aiding materials science research.

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Area of Science:

  • Materials Science
  • Crystallography
  • Data Analysis

Background:

  • Electron diffraction is crucial for analyzing disordered solids.
  • Quantifying pair correlation functions requires specialized software.
  • In situ measurements offer significant advantages for real-time analysis.

Purpose of the Study:

  • To present RDFTools, a software package for computing radial distribution functions (RDFs) and pair correlation functions.
  • To enable rapid, in situ measurements from electron diffraction data.
  • To provide a user-friendly tool for quantitative analysis of disordered materials.

Main Methods:

  • The software package RDFTools was developed.
  • Algorithms were designed for efficient computation of diffraction integrals and data-processing averages.
  • The software integrates with DigitalMicrograph™ for transmission electron microscopy.

Main Results:

  • RDFTools allows for rapid in situ measurements of interatomic distances, bond angles, and coordination numbers.
  • The software provides publication-ready, quantitative pair distribution function information.
  • It offers a robust and intuitive user interface for deriving semiquantitative information.

Conclusions:

  • RDFTools facilitates accurate pair separation distance determination directly at the microscope.
  • The software is valuable for analyzing thick specimens and regions of unknown composition.
  • It enhances the efficiency and reliability of structural analysis in materials science.