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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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German physicist Wilhelm Röntgen (1845–1923) was experimenting with electrical current when he discovered that a mysterious and invisible "ray" would pass through his flesh but leave an outline of his bones on a screen coated with a metal compound. In 1895, Röntgen made the first durable record of the internal parts of a living human: an "X-ray" image (as it came to be called) of his wife’s hand. Scientists worldwide quickly began their own experiments with...
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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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The phase of a given substance depends on the pressure and temperature. Thus, plots of pressure versus temperature showing the phase in each region provide considerable insights into the thermal properties of substances. Such plots are known as phase diagrams. For instance, in the phase diagram for water (Figure 1), the solid curve boundaries between the phases indicate phase transitions (i.e., temperatures and pressures at which the phases coexist).
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A phase diagram combines plots of pressure versus temperature for the liquid-gas, solid-liquid, and solid-gas phase-transition equilibria of a substance. These diagrams indicate the physical states that exist under specific conditions of pressure and temperature and also provide the pressure dependence of the phase-transition temperatures (melting points, sublimation points, boiling points). Regions or areas labeled solid, liquid, and gas represent single phases, while lines or curves represent...
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PyPhase - a Python package for X-ray phase imaging.

Max Langer1, Yuhe Zhang2, Diogo Figueirinhas3

  • 1Univ Lyon, INSA Lyon, Université Claude Bernard Lyon 1, UJM-Saint Etienne, CNRS, Inserm, CREATIS UMR 5220, U1206, F-69621 Villeurbanne, France.

Journal of Synchrotron Radiation
|July 2, 2021
PubMed
Summary
This summary is machine-generated.

PyPhase is a new open-source software package that simplifies X-ray phase retrieval for imaging. It makes advanced techniques accessible for wider use in scientific research.

Keywords:
X-ray imagingholographyphase contrastphase retrievaltomography

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Area of Science:

  • Physics
  • Materials Science
  • Computational Imaging

Background:

  • X-ray imaging techniques, particularly propagation-based methods, are crucial in scientific research.
  • Current phase-retrieval algorithms are often instrument-specific and complex, hindering broader adoption.
  • The need for accessible and versatile phase-retrieval tools is evident in synchrotron and laboratory-based imaging.

Purpose of the Study:

  • To introduce PyPhase, a free and open-source software package for near-field phase reconstruction.
  • To provide a modular framework for implementing and developing phase-retrieval algorithms.
  • To facilitate the deployment of these algorithms on diverse computational infrastructures, including large-scale facilities.

Main Methods:

  • PyPhase implements popular phase-retrieval algorithms within a modular architecture.
  • The software supports deployment on high-performance computing resources.
  • Algorithm capabilities are demonstrated using experimental data from the MAX IV synchrotron source.

Main Results:

  • PyPhase offers a user-friendly and adaptable solution for X-ray phase reconstruction.
  • The modular design simplifies the integration and development of new algorithms.
  • Successful application to synchrotron data showcases its practical utility and ease of use.

Conclusions:

  • PyPhase democratizes access to advanced X-ray phase-retrieval techniques.
  • Its open-source nature and modular design foster collaboration and innovation in imaging science.
  • The package streamlines the application of phase-retrieval algorithms across different experimental setups.