Metadata-Version: 2.4
Name: reciprocalspaceship
Version: 1.0.6
Summary: Tools for exploring reciprocal space
Home-page: https://rs-station.github.io/reciprocalspaceship/
Author: Kevin M. Dalton, Jack B. Greisman
Author-email: kmdalton@g.harvard.edu, greisman@g.harvard.edu
License: MIT
Project-URL: Bug Tracker, https://github.com/rs-station/reciprocalspaceship/issues
Project-URL: Documentation, https://rs-station.github.io/reciprocalspaceship/
Project-URL: Source Code, https://github.com/rs-station/reciprocalspaceship
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Programming Language :: Python
Requires-Python: >=3.9
License-File: LICENSE
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``reciprocalspaceship`` provides a ``pandas``-style interface for
analyzing and manipulating reflection data from crystallography
experiments. Using this library, it is possible to interactively work
with crystallographic data in Python, enabling easy integration  with
modern scientific computing libraries. ``reciprocalspaceship`` is
intended to support the rapid prototyping of new crystallographic methods
and custom analyses while maintaining clear, reproducible, and performant
code.

Features of this library include:

  - Crystallographically-aware ``pandas`` objects, datatypes, and syntax
    that are familiar to Python users.
  - Convenient integration with `GEMMI <https://gemmi.readthedocs.io/en/latest/>`__
    to provide built-in methods and support for developing functions that
    use space groups, unit cell parameters, and crystallographic symmetry
    operations.
  - Support for reading and writing MTZ reflection files.
