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xrdpy: Python package for 2D X-ray diffraction data analysis

Project description

xrdpy: Python package for 2D X-ray diffraction data analysis

Real space map Reciprocal space map Detecting RSM peaks (example-1)
Detecting sensitive RSM peaks (peak detection at low intesity) Merged RSM maps (including strain calculations) Aligning RSM maps using $\omega$ rotation (2nd sample is relaxed)

Developers and contributors

Developer of xrdpy : Badal Mondal, Pietro Pampili

xrdpy Contributors: Contributors

  • We sincerely thank each and every contributor for their valuable input and support.

Contact us: Email developer/maintainer team

  • If you would like to contribute to the development of xrdpy or request new functionality, please get in touch with us or open a pull request or discuss here. We appreciate and respect our users' views and are committed to providing the best experience possible. Your feedback is highly valued. We will be happy to support your request ASAP.

Installation

1. Requirements

    1. python>=3.12
    3. numpy>=1.13
    5. scipy>=1.26
    7. matplotlib

3. Installation using pip [*recommended]

    pip install xrdpy

2. Installation from github repository

    git clone https://github.com/XRDmapAnalysis/xrdpy.git
    cd xrdpy
    pip install .  

Or,

    pip install git+https://github.com/XRDmapAnalysis/xrdpy.git@specific_branch

Usage

Wiki page: Welcome to xrdpy

Documentation: Package documentation

Discussions: Discuss more about the package here

Tutorials: tutorial

Theoretical details: TBA

Tips and tricks:

FAQs: here

You can find a list of common user issues encountered while using this software here. We appreciate and respect our users' views and are committed to providing the best experience possible. Your feedback is highly valued.

Citations and references:

If you use xrdpy in your work, please:

  • State EXPLICITLY that you have used the xrdpy code (or a modified version of it, if this is the case), for instance, adding a sentence like:

     "The XRD analysis is performed using the xrdpy code."
    
  • How to cite the package: (use appropriate version number and doi corresponding to your installed xrdpy)

Badal Mondal and Pietro Pampili, "XRDmapAnalysis/xrdpy: version-V.V.V (vV.V.V))". Zenodo, 2026. doi: XXXXX

  • Read and cite the following papers (and the appropriate references therein):

TBA

Bibliography file: Here is the bibliography file for your convenience.

Version release

Chekout out version release history here for the full list of updates and upgrades.

License

Upcoming (TBD)

  1. ZB structure
  2. Implement arbritraty 1D line scan capability on 2D RSM plots
  3. Quaternary alloy

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