diffpy.utils documentation

diffpy.utils - General utilities for analyzing diffraction data

Software version 3.6.0.
Last updated January 01, 2025.

The diffpy.utils package provides a number of functions and classes designed to help researchers analyze their diffraction data. It also includes some functionality for carrying out PDF analysis. Examples are parsers for reading common format diffraction data files, DiffractionObjects that allow you to do algebra on diffraction patterns, tools for better capture and propagation of metadata, diffraction-friendly interpolation routines, as well as some other tools used across diffpy libraries.

Click here for a full list of utilities offered by diffpy.utils.

Examples

Illustrations of when and how one would use various diffpy.utils functions.

Authors

diffpy.utils is developed by members of the Billinge Group at Columbia University and at Brookhaven National Laboratory including Pavol Juhás, Christopher L. Farrow, Simon J. L. Billinge, Andrew Yang, with contributions from many Billinge Group members and members of the diffpy community.

For a detailed list of contributors see https://github.com/diffpy/diffpy.utils/graphs/contributors.

Installation

See the README file included with the distribution.

Citation

If you use this program for a scientific research that leads to publication, we ask that you acknowledge use of the program by citing the following paper in your publication:

  1. Juhás, C. L. Farrow, X. Yang, K. R. Knox and S. J. L. Billinge, Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems, Acta Crystallogr. A 71, 562-568 (2015).

Table of contents

Indices