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PDFgetXgui: a graphical user interface for PDFgetX3 for high throughput pair distribution function transformation and visualization

Abstract

The PDFgetXgui software program is described. It is for obtaining and visualizing atomic pair distribution functions (PDF) from X-ray powder diffraction data. It provides a convenient GUI for the PDFgetX3 program allowing the user to easily obtain PDFs from raw 1D powder diffraction patterns. It is specially useful for working with large numbers of datasets such as from high throughput measurements. The analysis of multiple datasets may be saved as projects and revisited later with the complete parameter state saved. Multiple datasets may be plotted in 2D waterfall and 3D modes. Plots and processed data may be saved as individual files for further processing. The software is written in Python and runs on multiple platforms.

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