Work

Absorption Correction for Reliable Pair Distribution Functions from Low Energy X-ray Sources

Year: 2026

Type: article

Abstract: High Resolution Image Download MS PowerPoint Slide This paper explores the development and testing of a simple absorption correction model for processing powder X-ray diffraction data from Debye–Scherrer geometry laboratory X-ray experiments. This may be used as a preprocessing step before using PDFgetX3 to obtain reliable pair distribution functions (PDFs). Various experimental and theoretical methods for estimating μ R were explored, and the most appropriate μ R values for correction were identified for different capillary diameters and X-ray beam sizes. We identify operational ranges of μ R where a reasonable signal-to-noise ratio is possible after correction. A user-friendly software package, diffpy.labpdfproc, is presented that can help estimate μ R and perform absorption corrections with a rapid calculation for efficient processing.

Source: Crystal Growth & Design

DOI: 10.1021/acs.cgd.5c00551

Authors: Yucong Chen, Till Schertenleib, Andrew Yang, Pascal Schouwink, Wendy L. Queen, Simon J. L. Billinge

Institutions: Columbia University, École Polytechnique Fédérale de Lausanne

Language: English

Topic: X-ray Diffraction in Crystallography

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,500

Funders: Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Basic Energy Sciences