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 Concept Videos

Woodward–Hoffmann Selection Rules and Microscopic Reversibility01:34

Woodward–Hoffmann Selection Rules and Microscopic Reversibility

4.1K
Electrocyclic reactions, cycloadditions, and sigmatropic rearrangements are concerted pericyclic reactions that proceed via a cyclic transition state. These reactions are stereospecific and regioselective. The stereochemistry of the products depends on the symmetry characteristics of the interacting orbitals and the reaction conditions. Accordingly, pericyclic reactions are classified as either symmetry-allowed or symmetry-forbidden. Woodward and Hoffmann presented the selection criteria for...
4.1K
Design Example: Managing Concrete Workability01:14

Design Example: Managing Concrete Workability

326
This example deals with managing the workability of concrete for a raft foundation project under hot weather conditions. Workability is crucial for ensuring the concrete is easy to place, compact, and finish. In this scenario, a slump test — a common method to measure the workability of fresh concrete — initially indicated low workability. This was attributed to the rapid water loss from the concrete mix, exacerbated by the high temperatures causing the course aggregates to heat up.
326
Gestalt Principles of Perception01:21

Gestalt Principles of Perception

1.7K
Gestalt principles provide a framework for understanding how humans perceive objects as unified wholes within their context. These principles are essential in explaining the cognitive processes that make sense of complex visual stimuli by organizing them into coherent groups. One fundamental principle is proximity, which posits that objects located close to each other are perceived as a collective group. For instance, when dots are positioned near one another, the visual system interprets them...
1.7K
Design Consideration01:22

Design Consideration

625
Designing a structure involves a series of considerations, primarily the material's ultimate strength, calculated through tests that measure changes under increased force until the material reaches its breaking point or limit. The ultimate load, where the material breaks, is divided by its original cross-sectional area, resulting in the ultimate normal stress or strength. The ultimate shearing stress is another significant factor taken into account.
The factor of safety is another key...
625
Radical Formation: Abstraction00:47

Radical Formation: Abstraction

4.5K
The electron of an atom can be abstracted from a compound by a relatively unstable radical to generate a new radical of relatively greater stability. For example, an initiator which forms radicals by homolysis can abstract a suitable species like a hydrogen atom or a halogen atom from a compound to generate a new radical. This ability of radicals to propagate by abstraction is a crucial feature of radical chain reactions.
Even though homolysis produces radicals, it is different from radical...
4.5K
Revisionist Views of Adolescent and Adult Cognition01:24

Revisionist Views of Adolescent and Adult Cognition

373
A revisionist approach to Jean Piaget's theory of cognitive development has brought new insights that challenge and reinterpret his established ideas. Piaget proposed that the formal operational stage, emerging in adolescence, represents the culmination of cognitive maturity. During this stage, individuals are said to develop abstract thinking, engage in systematic problem-solving, and show a form of egocentrism, believing others are as preoccupied with their behavior as they are...
373

You might also read

Related Articles

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

Sort by
Same author

Low-molecular weight organogel matrices as crystallisation media for active pharmaceutical ingredients.

Journal of materials chemistry. B·2026
Same author

A good-practice guide to solving and refining molecular organic crystal structures from laboratory powder X-ray diffraction data.

Acta crystallographica. Section C, Structural chemistry·2025
Same author

Cyclodextrin-mediated Enhancement of Haloperidol Solubility: Physicochemical Studies and In Vivo Investigation Using Planaria Worms.

Pharmaceutical research·2025
Same author

The seventh blind test of crystal structure prediction: structure ranking methods.

Acta crystallographica Section B, Structural science, crystal engineering and materials·2024
Same author

The seventh blind test of crystal structure prediction: structure generation methods.

Acta crystallographica Section B, Structural science, crystal engineering and materials·2024
Same author

Crystal Structure and NMR of an α,δ-Peptide Foldamer Helix Shows Side-Chains are Well Placed for Bifunctional Catalysis: Application as a Minimalist Aldolase Mimic.

Angewandte Chemie (Weinheim an der Bergstrasse, Germany)·2024
Same journal

Precise Numerical Differentiation of Thermodynamic Functions with Multicomplex Variables.

Journal of research of the National Institute of Standards and Technology·2024
Same journal

Characterization of 3-Dimensional Printing and Casting Materials for use in Computed Tomography and X-ray Imaging Phantoms.

Journal of research of the National Institute of Standards and Technology·2024
Same journal

On The Quotient of a Centralized and a Non-centralized Complex Gaussian Random Variable.

Journal of research of the National Institute of Standards and Technology·2024
Same journal

Fast Methods for Finding Multiple Effective Influencers in Real Networks.

Journal of research of the National Institute of Standards and Technology·2024
Same journal

Disinfection of Respirators with Ultraviolet Radiation.

Journal of research of the National Institute of Standards and Technology·2024
Same journal

DNA Origami Design: A How-To Tutorial.

Journal of research of the National Institute of Standards and Technology·2024
See all related articles

Related Experiment Video

Updated: Mar 18, 2026

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects
09:16

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects

Published on: June 8, 2016

16.9K

Global Rietveld Refinement.

Kenneth Shankland1

  • 1ISIS Facility, Rutherford Appleton Laboratory, Oxfordshire OX11 0QX, United Kingdom.

Journal of Research of the National Institute of Standards and Technology
|July 2, 2016
PubMed
Summary
This summary is machine-generated.

Global optimisation methods are key for determining crystal structures from powder diffraction data. This study assesses how accuracy throughout the experiment impacts the final structure solution accuracy.

Keywords:
global optimisationpowder diffractionstructure determination

More Related Videos

RBDT: A Computerized Task System based in Transposition for the Continuous Analysis of Relational Behavior Dynamics in Humans
11:09

RBDT: A Computerized Task System based in Transposition for the Continuous Analysis of Relational Behavior Dynamics in Humans

Published on: July 17, 2021

3.5K
Streamlined 3D Cerebellar Differentiation Protocol with Optional 2D Modification
10:15

Streamlined 3D Cerebellar Differentiation Protocol with Optional 2D Modification

Published on: December 9, 2017

8.1K

Related Experiment Videos

Last Updated: Mar 18, 2026

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects
09:16

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects

Published on: June 8, 2016

16.9K
RBDT: A Computerized Task System based in Transposition for the Continuous Analysis of Relational Behavior Dynamics in Humans
11:09

RBDT: A Computerized Task System based in Transposition for the Continuous Analysis of Relational Behavior Dynamics in Humans

Published on: July 17, 2021

3.5K
Streamlined 3D Cerebellar Differentiation Protocol with Optional 2D Modification
10:15

Streamlined 3D Cerebellar Differentiation Protocol with Optional 2D Modification

Published on: December 9, 2017

8.1K

Area of Science:

  • Crystallography
  • Materials Science
  • Computational Chemistry

Background:

  • Global optimisation methods are increasingly vital for analysing polycrystalline molecular organic materials using powder diffraction data.
  • These methods can function as a 'global Rietveld refinement', yielding accurate crystal structures from quality diffraction data.

Purpose of the Study:

  • To investigate the impact of accuracy at each stage of a powder diffraction experiment on the overall structure solution process.
  • To evaluate the precision of crystal structures obtained through global optimisation.

Main Methods:

  • Focus on global optimisation techniques for crystal structure determination.
  • Analysis of powder diffraction data quality and its influence on results.
  • Assessment of accuracy in structure solution from experimental data.

Main Results:

  • Accuracy at all experimental stages is crucial for reliable structure determination.
  • Global optimisation provides accurate crystal structures when experimental data is high-quality.
  • The degree of accuracy in the final structure solution is directly linked to experimental precision.

Conclusions:

  • Global optimisation is a powerful tool for crystal structure determination from powder diffraction data.
  • Maintaining high accuracy throughout the powder diffraction experiment is essential for precise structural results.
  • The reliability of global optimisation methods is validated by their dependence on experimental data quality.