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XRD Analysis Toolkit 1.0.1

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@ABKuznetsov ABKuznetsov released this 04 Jul 11:58

XRD Analysis Toolkit 1.0.1

Patch release for XRD Finder.

Fixed

  • Fixed HTTPS/SSL certificate handling for online COD, RRUFF, CCDC and manual COD archive downloads by installing certifi and using a shared SSL context.
  • Restored automatic plot fitting after adding one or more calculated phases when a single XRD pattern is displayed.
  • Candidate preview still preserves the current zoom while browsing the candidate table.
  • Removed the old default project name from the XRD Finder GUI.
  • Moved XRD Finder into the XRD_Finder/ application folder inside the shared XRD_Analysis_Toolkit repository layout.
  • Moved XRD Finder databases, caches and temporary working data to XRD_Finder/data/ by default.
  • Replaced remaining public XRD Manager window labels with XRD Analysis Toolkit / XRD Finder names.
  • Clarified that setup scripts create a shared Toolkit .venv in the repository root.
  • Synchronized package metadata version with the release number.

Verification

  • Python package compilation passed with Python 3.11.
  • GUI and CLI imports passed.
  • Phase Finder window smoke test passed in offscreen mode.