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1 / 🚀 = reciprocalspaceship\n![Build](https://github.com/rs-station/reciprocalspaceship/workflows/Build/badge.svg)\n[![Documentation](https://github.com/rs-station/reciprocalspaceship/workflows/Documentation/badge.svg)](https://rs-station.github.io/reciprocalspaceship)\n[![PyPI](https://img.shields.io/pypi/v/reciprocalspaceship?color=blue)](https://pypi.org/project/reciprocalspaceship/)\n[![Anaconda-Server Badge](https://anaconda.org/conda-forge/reciprocalspaceship/badges/version.svg)](https://anaconda.org/conda-forge/reciprocalspaceship)\n[![codecov](https://codecov.io/gh/rs-station/reciprocalspaceship/branch/main/graph/badge.svg)](https://codecov.io/gh/rs-station/reciprocalspaceship)\n[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://github.com/rs-station/reciprocalspaceship/blob/main/LICENSE)\n[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/rs-station/reciprocalspaceship/main?filepath=docs%2Fexamples)\n[![DOI](https://img.shields.io/badge/DOI-10.1107%2FS160057672100755X-blue)](https://doi.org/10.1107/S160057672100755X)\n\nTools for exploring reciprocal space.\n\n`reciprocalspaceship` provides a `pandas`-style interface for\nanalyzing and manipulating reflection data from crystallography\nexperiments. Using this library, it is possible to interactively\nwork with crystallographic data in Python, enabling easy\nintegration with modern scientific computing libraries. `reciprocalspaceship`\nis intended to support the rapid prototyping of new crystallographic methods and\ncustom analyses while maintaining clear and performant code.\n\nFeatures of this library include:\n\n- Crystallographically-aware `pandas` objects, datatypes, and syntax that are familiar to Python users.\n- Convenient integration with [GEMMI](https://gemmi.readthedocs.io/en/latest/) to provide built-in methods and\n  support for developing functions that use space groups, unit cell parameters, and crystallographic\n  symmetry operations.\n- Support for reading and writing MTZ reflection files.\n\n\u003cp align=\"center\"\u003e\n  \u003cimg src=\"docs/img/screenshot.png\" width=750 title=\"Screenshot of Jupyter Notebook\"\u003e\n\u003c/p\u003e\n\n## Installation\n\nThe fastest way to install `reciprocalspaceship` is using `pip`:\n\n```\npip install reciprocalspaceship\n```\n\nor using `conda`:\n\n```\nconda install -c conda-forge reciprocalspaceship\n```\n\nFor more installation information, see our [installation guide](https://rs-station.github.io/reciprocalspaceship/userguide/installation.html).\n\n## Quickstart\n\nTo get started with `reciprocalspaceship`, see our [quickstart guide](https://rs-station.github.io/reciprocalspaceship/examples/quickstart.html).\n\n## Documentation\n\nFor more details on the use of `reciprocalspaceship`, check out our [documentation](https://rs-station.github.io/reciprocalspaceship).\n\n## Reference\n\nOur paper describing the library was published in the Journal of Applied Crystallography: [link to paper](https://doi.org/10.1107/S160057672100755X).\nPlease cite this publication for any work that makes use of this library.\n\nWe also have a pre-print describing the library on [bioRxiv](https://www.biorxiv.org/content/10.1101/2021.02.03.429617v1).\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frs-station%2Freciprocalspaceship","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Frs-station%2Freciprocalspaceship","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frs-station%2Freciprocalspaceship/lists"}