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X-Ray Scattering Tools

For more comprehensive installation and operating instructions, please visit the repository website at https://naveenv92.github.io/xray-scattering-tools/.

A collection of programs in Python 3 to process and analyze data from sychrotron X-ray diffraction. The GIWAXS Image Simulator program was used to generate the simulated GIWAXS images in the publication N. R. Venkatesan et al., Chem. Mater., 2018 (10.1021/acs.chemmater.8b03832).

Dependencies:

PyQt5, sys, numpy, matplotlib, tifffile, and pathlib

Tools 🛠️

Convert Binary to TIFF

convert-binary-to-tiff.py

To save output from CCDs, data from sychrotrons are often saved as binary files. These streams of bytes must be decoded and reshaped to produced a tractable image. This program does batch conversion of binary files to TIFF image files, provided you know the output image resolution and the number precision of the encoded bytes.

 

GIWAXS Image Simulator

giwaxs-image-simulator.py

This program allows you to simulate the GIWAXS (Grazing-Incidence Wide-Angle X-Ray Scattering) pattern of any fiber-textured thin film given that you have a CIF (Crystallographic Information File) file and knowledge of the out-of-plane crystallographic direction.

 

X-Ray Scattering Analyzer

xrs-analyzer.py

This program allows you to manipulate images collected from synchrotron X-ray diffraction. The beam center and sample-to-detector distance are calibrated using a diffraction image of a known calibrant (silver behenate or lanthanum hexaboride). The program has functions to calculate rotationally averaged diffraction patterns for isotropic samples, geometrically-corrected diffraction images for anisotropic GIWAXS measurements, and in-plane and out-of-plane intensity cuts.