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

The partial structure with errors: a probabilistic treatment.

Rocco Caliandro1, Benedetta Carrozzini, Giovanni Luca Cascarano

  • 1Institute of Crystallography - CNR, Via G. Amendola 122/O, 70126 Bari, Italy.

Acta Crystallographica. Section A, Foundations of Crystallography
|April 23, 2005
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

Updating direct methods VI. The extended use of the information contained in the Patterson map.

Acta crystallographica. Section D, Structural biology·2026
Same author

MD Simulations of Human Sigma-1 Receptor Trimer Uncover Cholesterol-Dependent Stabilization and Ligand-Specific Dynamics.

Journal of chemical information and modeling·2026
Same author

From Genome Inspection to Precision Agrochemicals: A Structure-Based Antivirulence Roadmap for Sustainable Crop Protection against <i>Xylella fastidiosa</i>.

Journal of agricultural and food chemistry·2026
Same author

Unveiling the fate of lipid crystalline structures in engineered emulsions during in vitro digestion.

Food chemistry·2026
Same author

Updating direct methods V. Phasing when triplet invariants are estimated via the Patterson map.

Acta crystallographica. Section D, Structural biology·2026
Same author

Integrative Structural Characterization of <i>Candida glabrata</i> Phosphoglycerate Kinase by Small-Angle X‑ray Scattering and AlphaFold: Implications for Therapeutic Targeting in Candidiasis.

ACS omega·2026
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 applies joint probability distribution functions to analyze crystal structure data with errors. It confirms previous findings and introduces a new method to estimate parameter sigmaA for improved reliability in structural analysis.

Area of Science:

  • Crystallography
  • Materials Science
  • Computational Chemistry

Background:

  • Accurate crystal structure determination is crucial in materials science and chemistry.
  • Existing methods for analyzing structure factors with errors have limitations.

Purpose of the Study:

  • To apply the joint probability distribution function method to analyze crystal structure factors with known errors.
  • To generalize and confirm previous results in the field.
  • To develop a new method for estimating the parameter sigmaA.

Main Methods:

  • Utilized the joint probability distribution function method.
  • Incorporated observed and calculated structure factors with associated errors.
  • Analyzed errors in atomic coordinates, thermal parameters, and scattering factors.

Related Experiment Videos

Main Results:

  • Confirmed and generalized findings from previous studies.
  • Established a novel relationship for estimating the parameter sigmaA.
  • Demonstrated practical applications of the developed method.

Conclusions:

  • The joint probability distribution function method is effective for analyzing crystallographic data with errors.
  • The new relationship for sigmaA enhances the reliability of structural parameter estimation.
  • The findings have practical implications for refining crystal structures.