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# Mrinversion | ||
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Mrinversion is a python package for inverting NMR signal. The package supports | ||
inversion of two-dimension magic angle flipping (MAF) or any number of 2D spinning | ||
sideband measurements coreelating the isotopic to the anisotropic frequencies, into | ||
a three-dimensional | ||
inverting the pure NMR anisotropic line-shape | ||
into a distribution of the tensor | ||
| | | | ||
| ------------ | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | | ||
| 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) | | ||
| Build Status | [![Travis (.org)](https://img.shields.io/travis/deepanshs/mrinversion?logo=travis)](https://travis-ci.org/github/DeepanshS/mrinversion) [![GitHub Workflow Status](<https://img.shields.io/github/workflow/status/deepanshs/mrinversion/CI%20(pip)?logo=GitHub>)](https://github.com/DeepanshS/mrinversion/actions) [![Read the Docs](https://img.shields.io/readthedocs/mrinversion)](https://mrinversion.readthedocs.io/en/latest/) | | ||
| License | [![License](https://img.shields.io/badge/License-BSD%203--Clause-blue.svg)](https://opensource.org/licenses/BSD-3-Clause) | | ||
| Metrics | [![Language grade: Python](https://img.shields.io/lgtm/grade/python/g/DeepanshS/mrinversion.svg?logo=lgtm)](https://lgtm.com/projects/g/DeepanshS/mrinversion/context:python) [![codecov](https://codecov.io/gh/DeepanshS/mrinversion/branch/master/graph/badge.svg)](https://codecov.io/gh/DeepanshS/mrinversion) [![Total alerts](https://img.shields.io/lgtm/alerts/g/DeepanshS/mrinversion.svg?logo=lgtm)](https://lgtm.com/projects/g/DeepanshS/mrinversion/alerts/) | | ||
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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. | ||
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--- | ||
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## Features | ||
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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 | ||
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- **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. | ||
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- **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. | ||
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For more information, refer to the | ||
[documentation](https://mrinversion.readthedocs.io/en/latest/). | ||
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> **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 | ||
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$ pip install mrinversion | ||
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Please read our [installation document](https://mrinversion.readthedocs.io/en/latest/installation.html) for details. |
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