Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

A probabilistic approach to space-group determination from powder diffraction data.

A J Markvardsen1, W I David, J C Johnston

  • 1ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxon OX11 0QX, England. a.j.markvardsen@rl.ac.uk

Acta Crystallographica. Section A, Foundations of Crystallography
|January 11, 2000
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Perspectives from the 2<sup>nd</sup> International Post-Tuberculosis Symposium: mobilising advocacy and research for improved outcomes.

IJTLD open·2024
Same author

Symposium on Pellagra.

Buffalo medical journal·2023
Same author

Some Observations on Gastric and Duodenal Ulcer.

Buffalo medical journal·2023
Same author

A scoping review of interventions to mitigate common non-communicable diseases among people with TB.

The international journal of tuberculosis and lung disease : the official journal of the International Union against Tuberculosis and Lung Disease·2022
Same author

Antikamnia.

The Southern medical record·2022
Same author

The Real and Relative Value of Our Recent Antipyretics.

Atlanta medical and surgical journal (1884)·2022
Same journal

Report of the Executive Committee for 2006.

Acta crystallographica. Section A, Foundations of crystallography·2020
Same journal

Spin line groups.

Acta crystallographica. Section A, Foundations of crystallography·2013
Same journal

Distribution rules of systematic absences on the Conway topograph and their application to powder auto-indexing.

Acta crystallographica. Section A, Foundations of crystallography·2013
Same journal

Platonic solids generate their four-dimensional analogues.

Acta crystallographica. Section A, Foundations of crystallography·2013
Same journal

C70, C80, C90 and carbon nanotubes by breaking of the icosahedral symmetry of C60.

Acta crystallographica. Section A, Foundations of crystallography·2013
Same journal

Comparative study of X-ray charge-density data on CoSb3.

Acta crystallographica. Section A, Foundations of crystallography·2013
See all related articles

This study introduces a probability-based algorithm to determine crystal space-group symmetry from powder diffraction data. The method efficiently identifies likely extinction symbols, simplifying crystal structure analysis.

Area of Science:

  • Crystallography
  • Materials Science
  • Computational Chemistry

Background:

  • Determining space-group symmetry is crucial for understanding crystal structures.
  • Powder diffraction is a common technique for crystal analysis.
  • Identifying symmetry from diffraction data can be challenging due to overlapping peaks and systematic absences.

Purpose of the Study:

  • To develop and present a novel algorithm for determining space-group symmetry from powder diffraction data.
  • To utilize probability theory to assess the likelihood of different extinction symbols.
  • To demonstrate the algorithm's effectiveness with illustrative examples.

Main Methods:

  • The algorithm employs probability theory to evaluate the relative likelihood of various extinction symbols within a given crystal system.

Related Experiment Videos

  • It focuses on identifying a small subset of highly probable extinction symbols.
  • Statistical analysis is used to rank the probability of each symbol.

    • Main Results:

    • The algorithm successfully identifies a limited number of probable extinction symbols for crystal structures.
    • In many cases, a single extinction symbol emerges as significantly more probable than others.
    • The presented examples validate the algorithm's capability in predicting space-group symmetry.

    Conclusions:

    • The probability-based algorithm provides an efficient and reliable method for space-group determination from powder diffraction data.
    • This approach simplifies the analysis by highlighting the most likely symmetry elements.
    • The findings contribute to advancing crystallographic data analysis techniques.