FXD-CSD-GUI

FXD-CSD-GUI computes crystallite size distributions from Bragg intensities obtained by X-ray diffraction using the FXD-CSD method and two-dimensional detectors.


Key Features:

  • FXD-CSD method: Implements the FXD-CSD approach for rapid acquisition and analysis of numerous Bragg spots using two-dimensional detectors to enable high-throughput measurement.
  • Bragg intensity analysis: Analyzes Bragg intensities to infer crystallite size distributions from X-ray diffraction data.
  • Output formats: Produces results in graphical and numerical formats for quantitative and visual assessment of crystal size distributions.
  • Implementation: Provided as a Python-based application for computational processing of diffraction data.

Scientific Applications:

  • Materials science: Determination of crystallite size distributions to characterize microstructure and relate size to material properties.
  • Chemistry: Quantification of crystal size for studies of crystallization, polymorphism, and reaction-controlled particle formation.
  • Pharmaceuticals: Assessment of crystallite size distributions to inform formulation stability and performance related to active pharmaceutical ingredients.

Methodology:

Analyze Bragg intensities from X-ray diffraction data acquired with two-dimensional detectors using the FXD-CSD method to infer crystallite size distributions.

Topics

Details

Tool Type:
desktop application
Programming Languages:
Python
Added:
1/14/2020
Last Updated:
1/6/2021

Operations

Publications

Neher SH, Klein H, Kuhs WF. <i>FXD-CSD-GUI</i>: a graphical user interface for the X-ray-diffraction-based determination of crystallite size distributions. Journal of Applied Crystallography. 2019;52(6):1437-1439. doi:10.1107/s1600576719012159. PMID:31798363. PMCID:PMC6878879.

PMID: 31798363
PMCID: PMC6878879
Funding: - Deutsche Forschungsgemeinschaft: KU920/20-1 - Bundesministerium für Bildung und Forschung: 03G0856B