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Lattice Centering and Coordination Number02:33

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The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
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An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
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Bewley Lattice Diagram01:12

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The Bewley lattice diagram, developed by L. V. Bewley, effectively organizes the reflections occurring during transmission-line transients. It visually represents how voltage waves propagate and reflect within a transmission line, making it easier to understand the complex interactions that occur.
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Adenosine triphosphate, or ATP, is considered the primary energy source in cells. However, energy can also be stored in the electrochemical gradient of an ion across the plasma membrane, which is determined by two factors: its chemical and electrical gradients.
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The center of gravity of a body is an imaginary point where the body's total weight is assumed to be concentrated, and the body is perfectly balanced. The center of the mass of a body is a point at which the whole of the mass of the body appears to be concentrated. If the acceleration due to gravity, g, has the same value at all points on a body, its center of gravity is identical to its center of mass. The center of gravity of homogeneous bodies such as a sphere, cube, or rectangular plate...
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Updated: Jan 20, 2026

Lattice Centering and Coordination Number
02:33

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XGANDALF - extended gradient descent algorithm for lattice finding.

Yaroslav Gevorkov1, Oleksandr Yefanov1, Anton Barty1

  • 1Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany.

Acta Crystallographica. Section A, Foundations and Advances
|September 3, 2019
PubMed
Summary
This summary is machine-generated.

A new automatic indexing algorithm significantly improves crystal orientation determination in serial crystallography. This method enhances data processing for structural biology, enabling faster and more accurate results.

Keywords:
CrystFELXGANDALFindexingmultiple latticesserial crystallography

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Last Updated: Jan 20, 2026

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Area of Science:

  • Structural Biology
  • Crystallography
  • Biophysics

Background:

  • Serial crystallography requires indexing diffraction patterns to determine crystal orientation.
  • Current indexing methods can be inefficient and limit experimental throughput.

Purpose of the Study:

  • To develop and present a novel automatic indexing algorithm for serial crystallography.
  • To improve indexing rates and efficiency in serial crystallography data processing.

Main Methods:

  • Developed a new automatic indexing algorithm for serial crystallography.
  • Tested the algorithm's performance against existing programs.
  • Implemented the algorithm in an open-source C++ library with an interface to CrystFEL.

Main Results:

  • The novel algorithm achieved significantly higher indexing rates compared to alternatives.
  • The algorithm can operate without prior lattice parameter knowledge and handles multiple crystals.
  • Performance benefits are particularly notable for patterns with few Bragg spots.

Conclusions:

  • The new algorithm offers a substantial advancement for serial crystallography data processing.
  • Its speed and accuracy make it suitable for real-time feedback in experiments.
  • The open-source implementation promotes accessibility and integration within the scientific community.