<i>Pydidas</i>: a tool for automated X-ray diffraction data analysis

The processing and analysis of X-ray diffraction (XRD) data at synchrotrons is often left to the user groups, which limits the user base to groups with a background in analyzing XRD data. <i>Pydidas</i> is a new Python package for processing XRD data. It provides an easy and intuitive interface and versatile processing options with the aim of being accessible to non-experts in XRD analysis. A graphical user interface (GUI) allows users to perform the full pipeline of data browsing, experiment calibration, workflow setup, processing and visualization in a single tool. In addition, <i>pydidas</i>' logic is decoupled from the GUI and it can be fully used from within scripts or embedded into other processing pipelines. The <i>pydidas</i> processing pipeline is assembled from individual plugins which perform specific processing steps. This modular design allows for very versatile pipelines covering a wide range of applications. To improve the usability even further, custom plugins can be integrated in the <i>pydidas</i> workflow to allow specialized processing steps.

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Publication Details

Journal
Journal of Applied Crystallography
Published
2025-06-02
DOI
https://doi.org/10.1107/s160057672500398x
Citations
3
Primary Topic
Mineral Processing and Grinding
Type
article
Field-Weighted Citation Impact
2.14

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article

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

Peter Staron, Malte Storm, Christina Krywka
3 citations
Journal of Applied Crystallography
Mineral Processing and Grinding
2.14
article

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

Peter Staron, Malte Storm, Christina Krywka
article en
3 citations

Abstract

The processing and analysis of X-ray diffraction (XRD) data at synchrotrons is often left to the user groups, which limits the user base to groups with a background in analyzing XRD data. <i>Pydidas</i> is a new Python package for processing XRD data. It provides an easy and intuitive interface and versatile processing options with the aim of being accessible to non-experts in XRD analysis. A graphical user interface (GUI) allows users to perform the full pipeline of data browsing, experiment calibration, workflow setup, processing and visualization in a single tool. In addition, <i>pydidas</i>' logic is decoupled from the GUI and it can be fully used from within scripts or embedded into other processing pipelines. The <i>pydidas</i> processing pipeline is assembled from individual plugins which perform specific processing steps. This modular design allows for very versatile pipelines covering a wide range of applications. To improve the usability even further, custom plugins can be integrated in the <i>pydidas</i> workflow to allow specialized processing steps.

Journal of Applied CrystallographyVol. 58(4)
Helmholtz-Zentrum Hereon (DE)
Deutsche Forschungsgemeinschaft
Openalex Percentile: Top 13%
Mineral Processing and Grinding
2.14
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<i>Pydidas</i>: a tool for automated X-ray diffraction data analysis — Peter Staron, Malte Storm, et al. · Journal of Applied Crystallography (2025) | TGRS Research Map | TGRS