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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.

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XAFSmass

DOI

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

Dependencies

numpy, pyparsing and matplotlib are required. Qt must be provided by either PyQt4, PyQt5 or PySide.

Installation

Unzip the .zip file into a suitable directory and run python XAFSmassQt.py. On Windows, run pythonw XAFSmassQt.py or give it a .pyw extension to suppress the console window.

You may want to run python setup.py install in order to put the XAFSmass package to the standard location.

Documentation

See it on http://xafsmass.readthedocs.io Documentation Status

About

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.

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