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

Structure solution by minimal-function phase refinement and Fourier filtering. I. Theoretical basis

G T DeTitta1, C M Weeks, P Thuman

  • 1Medical Foundation of Buffalo, Inc., NY 14203.

Acta Crystallographica. Section A, Foundations of Crystallography
|March 1, 1994
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

Standard Reference Material (SRM 1990) For Single Crystal Diffractometer Alignment.

Journal of research of the National Institute of Standards and Technology·2016
Same author

Direct methods: a paradox with regard to the convergence of random phase trials toward solutions.

Acta crystallographica. Section A, Foundations of crystallography·2011
Same author

The highly attenuated vaccinia virus strain modified virus Ankara induces apoptosis in melanoma cells and allows bystander dendritic cells to generate a potent anti-tumoral immunity.

Clinical and experimental immunology·2006
Same author

Ab initio structure determination and refinement of a scorpion protein toxin.

Acta crystallographica. Section D, Biological crystallography·2004
Same author

On the extrapolation of the magnitudes magnitude of E of the normalized structure factors E.

Acta crystallographica. Section A, Foundations of crystallography·2000
Same author

Shake-and-Bake applications using simulated reference-beam data for crambin.

Acta crystallographica. Section A, Foundations of crystallography·2000
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
Same journal

Direct phasing of nanocrystal diffraction.

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

Crystal structure analysis is advanced by deriving identities for normalized structure factors (EH). A function R(psi) derived from known probability distributions helps determine true crystal structure phases, minimizing R(psi) to find the correct solution.

Area of Science:

  • Crystallography
  • Materials Science
  • Computational Chemistry

Background:

  • Normalized structure factors (EH) are crucial for determining crystal structures.
  • Existing methods face challenges in uniquely defining crystal structures from diffraction data.

Purpose of the Study:

  • To derive a system of identities that normalized structure factors (EH) must satisfy.
  • To develop a method for determining the true phases of crystal structures.

Main Methods:

  • Eliminating atomic position vectors from equations defining normalized structure factors.
  • Utilizing known conditional probability distributions of triplets and quartets.
  • Developing a phase function R(psi) dependent on magnitudes of EH.

Related Experiment Videos

Main Results:

  • A system of identities for EH is derived, independent of crystal structure for a fixed space group.
  • A function R(psi) is uniquely determined by magnitudes of EH.
  • The conjecture that the global minimum of R(psi) corresponds to true phases is proposed.

Conclusions:

  • The derived identities provide constraints for phase determination.
  • The function R(psi) offers a promising approach for solving the phase problem in crystallography.
  • This method has the potential to improve the accuracy and efficiency of crystal structure determination.