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

X-ray Crystallography02:18

X-ray Crystallography

24.5K
The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
24.5K
X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

4.2K
X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
4.2K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

45.3K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
45.3K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

28.4K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
28.4K

You might also read

Related Articles

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

Sort by
Same author

Chaperonin recognition of protein dynamics drives drug resistance.

bioRxiv : the preprint server for biology·2026
Same author

Inferring structure factors of weakly populated excited states in perturbative crystallography experiments.

bioRxiv : the preprint server for biology·2026
Same author

AlphaFold as a prior: experimental structure determination conditioned on a pretrained neural network.

Nature methods·2026
Same author

Sensitive detection of structural dynamics using a statistical framework for comparative crystallography.

Science advances·2025
Same author

AlphaFold as a Prior: Experimental Structure Determination Conditioned on a Pretrained Neural Network.

bioRxiv : the preprint server for biology·2025
Same author

SFCalculator: connecting deep generative models and crystallography.

bioRxiv : the preprint server for biology·2025
Same journal

Quantitative analysis of light-induced ion segregation in mixed-halide perovskites.

Journal of applied crystallography·2026
Same journal

Towards machine-learning-based on-the-fly analysis of neutron reflectometry.

Journal of applied crystallography·2026
Same journal

<i>mcstas_gisans</i>: combining ray tracing with the distorted-wave Born approximation using <i>McStas</i> and <i>BornAgain</i> for virtual GISANS experiments.

Journal of applied crystallography·2026
Same journal

Computational methods for automated center determination in electron diffraction patterns.

Journal of applied crystallography·2026
Same journal

Epitaxy of ultrathin Fe<sub>3</sub>O<sub>4</sub> films on SrTiO<sub>3</sub>(001): influence of growth parameters on the formation of coexisting (111)- and (001)-oriented phases.

Journal of applied crystallography·2026
Same journal

Spin excitations near the pressure-induced antiferromagnetic transition in SrCu<sub>2</sub>(BO<sub>3</sub>)<sub>2</sub>.

Journal of applied crystallography·2026
See all related articles

Related Experiment Video

Updated: Oct 16, 2025

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules
07:11

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Published on: March 22, 2019

7.0K

reciprocalspaceship: a Python library for crystallographic data analysis.

Jack B Greisman1, Kevin M Dalton1, Doeke R Hekstra1,2

  • 1Department of Molecular and Cellular Biology, Harvard University, 52 Oxford Street, Cambridge, MA 02138, USA.

Journal of Applied Crystallography
|October 21, 2021
PubMed
Summary
This summary is machine-generated.

Reciprocalspaceship is a new Python library that simplifies analyzing crystallographic data. It enhances data exploration and supports developing new methods for X-ray diffraction analysis.

Keywords:
PythonX-ray crystallographydata analysis

More Related Videos

The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble
06:50

The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble

Published on: June 5, 2021

3.8K
Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography
11:48

Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography

Published on: April 24, 2018

14.9K

Related Experiment Videos

Last Updated: Oct 16, 2025

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules
07:11

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Published on: March 22, 2019

7.0K
The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble
06:50

The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble

Published on: June 5, 2021

3.8K
Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography
11:48

Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography

Published on: April 24, 2018

14.9K

Area of Science:

  • Crystallography and structural biology
  • Computational science and data analysis

Background:

  • Crystallography relies on software for processing diffraction data to determine atomic structures.
  • Existing software can be difficult to use, poorly documented, or incompatible with modern computational tools.

Purpose of the Study:

  • Introduce reciprocalspaceship, a Python library for analyzing crystallographic data.
  • Address challenges in processing unconventional diffraction experiments and integrating with modern scientific libraries.

Main Methods:

  • Developed reciprocalspaceship as a Python library extending the pandas data structure.
  • Implemented built-in methods for handling crystallographic concepts like space groups, unit cells, and symmetry operations.

Main Results:

  • Provides a tabular representation for reflection data from diffraction experiments.
  • Facilitates new modes of exploratory data analysis in crystallography.
  • Supports the prototyping, development, and release of novel analytical methods.

Conclusions:

  • Reciprocalspaceship offers a flexible and accessible tool for crystallographic data analysis.
  • The library enhances the ability to explore reciprocal space and develop new computational methods.