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Absorption Correction for Reliable Pair Distribution Functions from Low Energy X‑ray Sources
Yucong Chen1, Till Schertenleib2, Andrew Yang1
1Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027, United States.
Abstract:
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 μR were explored, and the most appropriate μR values for correction were identified for different capillary diameters and X-ray beam sizes. We identify operational ranges of μR where a reasonable signal-to-noise ratio is possible after correction. A user-friendly software package, diffpy.labpdfproc, is presented that can help estimate μR and perform absorption corrections with a rapid calculation for efficient processing.
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