Metadata-Version: 2.1
Name: mrinversion
Version: 0.1.0.dev0
Summary: Python based statistical learning of NMR tensor parameters distribution from 2D isotropic/anisotropic NMR correlation spectra.
Home-page: https://github.com/DeepanshS/mrinversion/
Author: Deepansh J. Srivastava
Author-email: deepansh2012@gmail.com
License: BSD-3-Clause
Description: # Mrinversion
        
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        | Deployment   | [![PyPI version](https://img.shields.io/pypi/v/mrinversion.svg?style=flat&logo=pypi&logoColor=white)](https://pypi.python.org/pypi/mrinversion) ![PyPI - Python Version](https://img.shields.io/pypi/pyversions/mrinversion)                                                                                                                                                                                                                                              |
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        The `mrinversion` python package is based on the statistical learning technique for
        determining the distribution of the magnetic resonance (NMR) tensor parameters
        from the two-dimensional NMR spectra correlating the isotropic to anisotropic
        resonances.
        The library utilizes the [mrsimulator](https://mrsimulator.readthedocs.io/en/latest/)
        package for generating solid-state NMR lineshapes and
        [scikit-learn](https://scikit-learn.org/latest/) package for statistical learning.
        
        ---
        
        ## Features
        
        The `mrinversion` package includes the **inversion of a two-dimensional
        solid-state NMR spectrum of dilute spin-systems to a three-dimensional distribution of
        tensor parameters**. At present, we support the inversion of
        
        - **Magic angle flipping (MAF)** spectra correlating the isotropic chemical shift
          resonances to pure anisotropic resonances into a three-dimensional distribution of
          nuclear shielding tensor parameters---isotropic chemical shift, shielding
          anisotropy and asymmetry parameters---defined using the Haeberlen convention.
        
        - **Magic angle turning (MAT), Phase adjusted spinning sidebands (PASS)**, and similar
          spectra correlating the isotropic chemical shift resonances to pure anisotropic
          spinning sideband resonances into a three-dimensional distribution of
          nuclear shielding tensor parameters---isotropic chemical shift, shielding
          anisotropy and asymmetry parameters---defined using the Haeberlen convention.
        
        For more information, refer to the
        [documentation](https://mrinversion.readthedocs.io/en/latest/).
        
        > **View our example gallery**
        >
        > [![](https://img.shields.io/badge/View-Example%20Gallery-Purple?s=small)](https://mrinversion.readthedocs.io/en/latest/auto_examples/index.html)
        
        ## Installation
        
            $ pip install mrinversion
        
        Please read our [installation document](https://mrinversion.readthedocs.io/en/latest/installation.html) for details.
        
Platform: UNKNOWN
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: Operating System :: OS Independent
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: License :: OSI Approved :: BSD License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Topic :: Scientific/Engineering
Requires-Python: >=3.6
Description-Content-Type: text/markdown
Provides-Extra: matplotlib
