Series of tools for analyzing synchrotron diffraction images, written in Python 3, with GUIs generated with PyQt5. The basis for these tools is from the following publication from 2018:
N. R. Venkatesan, R. M. Kennard, R. A. DeCrescent, H. Nakayama, C. J. Dahlman, E. E. Perry, J. A. Schuller, and M. L. Chabinyc, Phase intergrowth and structural defects in organic metal halide Ruddlesden–Popper thin films, Chem. Mater., 2018, 30 (23), 8615 – 8623. [Link]
This software is licensed under the MIT license, feel free to contribute features and improve any functionality as you see fit. Here is a link to fork the repository on Github.
> git clone https://github.com/naveenv92/xray-scattering-tools
> cd xray-scattering-tools/
> python3 -m venv venv
> source venv/bin/activate
> (venv) pip install -r requirements.txt
> (venv) python convert-binary-to-tiff/convert-binary-to-tiff.py
> (venv) python giwaxs-image-simulator/giwaxs-image-simulator.py
> (venv) python xrs-analyzer/xrs-analyzer.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.
signed/unsigned short, signed/unsigned int, signed/unsigned long, signed/unsigned long long, float, or double
).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.
.cif
with VESTA.cif
and structure factor files using Browse... buttons – upon
loading the .cif
, the lattice parameters and angles should populate..csv
),
and a TIFF file of the final simulated image. At the conclusion of the program, a window will pop-up with the simulated
image.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.
.tif
file of your calibrant with the Browse... button –
the image resolution fields should automatically populate..tif
file of your sample with the Browse... button –
the minimum and maximum intensity fields should automatically populate..csv
file in the same directory as your sample image..tif
file of your sample with the Browse... button –
the minimum and maximum intensity fields should automatically populate (if you have done so already, you do not need
to reload the file)..csv
file in the same directory as your sample image..tif
file of your sample with the Browse... button –
the minimum and maximum intensity fields should automatically populate (if you have done so already, you do not need
to reload the file)..png
file
in the same directory as your sample image.