XAFSmass is a python program for calculating the mass of XAFS (X-ray Absorption Fine Structure) samples. The chemical formula parser understands parentheses and weight percentage, also in nested form. XAFSmass reports the quantity (weight, thickness or pressure) together with the expected height of the absorption edge. The GUI is provided by Qt.
Copyright (c) 2015 Konstantin Klementiev and Roman Chernikov under the MIT License terms
numpy, matplotlib and pyparsing are required. Qt must be provided by either PyQt5, PySide2, PyQt6 or PySide6 by means of qtpy.
Unzip the .zip file from GitHub into a suitable directory and run python XAFSmassQt.py.
One advantage of no installation is a single location of XAFSmass served by any Python installation.
From the unzipped directory that has pyproject.toml run python -m pip install .
or run pip install xafsmass to get it directly from PyPI.
After installation, XAFSmass can be started by xafsmass command.
See it on http://xafsmass.readthedocs.io