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PGFinder v0.0.2
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@ns-rse ns-rse released this 22 May 11:39
· 462 commits to master since this release
v0.0.2
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Learn about vigilant mode.

The PGFinder team are pleased to announce the release of v0.0.2

What's Changed

The majority of changes are internal and do not affect the user interface/Notebooks.

Internal Changes

  • Improved logging and removal of print() statements.
  • Improvements to tests.
  • Keeps data in "long" format whilst processing, only reshapes to "wide" when writing output.
  • Automatic versioning using setuptools_scm.
  • Removed dependency on pysqlite3.
  • Packages are built and deploy to PyPI and Sheffield ORDA automatically.

User visible Changes

  • Introduction of entry point (Command Line Interface) to run PGFinder at the command line (see find_pg --help after installation for more details).
  • Calculates Difference in PPM between observed and theoretical masses when there are matches.
  • Determines best match based on smallest absolute difference in PPM, if there are multiple matches these are retained.

IMPORTANT The MyBinder service recently lost significant resources (see here for details). This means users may find that at times the Interactive Notebook will not launch as there are no available hosts to run the code. We are looking into alternative stable solutions.

New Contributors

Full Changelog: v0.1.0...v0.0.2

Contributors

TheLostLambda and ns-rse
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