pydidas

Authors: Malte Storm, Gudrun Lotze

Keywords: X-ray diffraction analysis, Xrd, Saxs, Waxs

pyDIDAS (python DIffraction Data Analysis Suite) is a toolset developed at Helmholtz-Zentrum Hereon to improve the ease of use and efficiency of diffraction data analysis. A key requirement is to create a graphical user interface of the software and processing which scales with available resources to allow running pyDIDAS on a wide range of machines from a small laptop up to a central cluster at the facility level.

Introduction

Two main use cases have been considered:

  1. Fast (quasi-live) analysis of diffraction data during beamtimes.

  2. Supply users with an easy-to-use software solution which can also be used by users offline and offsite with no/minimal supervision from beamline staff.

The rational behind these two use cases are

  • Fast analysis of diffraction data can improve beamtime efficiency, for example in optimizing in situ / operando conditions

  • Give beamline staff software tools which facilitate user support during experiments.

  • Give users a software tool which allows them to work with their data more independantly of beamline staff support.

  • Support users with managing and automatically analyzing ever growing datasets.

Acknowledgements

The pyDIDAS project is funded by Helmholtz-Zentrum Hereon.

The pyDIDAS software uses widgets and tools from the pyFAI and silx projects at the ESRF. The azimuthal integration routines are also taken from the pyFAI distribution.


Publications

pydidas - Python Diffraction Data Analysis Suite

Storm M, Lotze G - Zenodo - 2026


Pydidas: a tool for automated X-ray diffraction data analysis

Storm M, Staron P, Krywka C - Journal of Applied Crystallography - 2025


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License
GPL-3.0-or-later

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