flintpy-nmr


Nameflintpy-nmr JSON
Version 0.1.1 PyPI version JSON
download
home_pagehttps://github.com/rserial/flintpy
SummaryPython implementation of FLINT algorithm for NMR relaxation data.
upload_time2024-08-04 19:47:04
maintainerNone
docs_urlNone
authorRaquel Serial
requires_python<3.13,>=3.10
licenseNone
keywords flintpy flintpy-nmr nmr
VCS
bugtrack_url
requirements No requirements were recorded.
Travis-CI No Travis.
coveralls test coverage No coveralls.
            
# Flintpy-NMR


<div align="center">

<object data="_static/logo.png" type="image/png" width="300">
   <img src="assets/logo.png" width="200"/>
</object>

[![PyPI - Version](https://img.shields.io/pypi/v/flintpy-nmr.svg)](https://pypi.python.org/pypi/flintpy-nmr)
[![PyPI - Python Version](https://img.shields.io/pypi/pyversions/flintpy-nmr.svg)](https://pypi.python.org/pypi/flintpy-nmr)
[![Tests](https://github.com/rserial/flintpy/workflows/tests/badge.svg)](https://github.com/rserial/flintpy/actions?workflow=tests)
[![Codecov](https://codecov.io/gh/rserial/flintpy/branch/main/graph/badge.svg)](https://codecov.io/gh/rserial/flintpy)
[![Read the Docs](https://readthedocs.org/projects/flintpy/badge/)](https://flintpy.readthedocs.io/)
[![PyPI - License](https://img.shields.io/pypi/l/flintpy-nmr.svg)](https://pypi.python.org/pypi/flintpy-nmr)

[![Black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black)
[![pre-commit](https://img.shields.io/badge/pre--commit-enabled-brightgreen?logo=pre-commit&logoColor=white)](https://github.com/pre-commit/pre-commit)
[![Contributor Covenant](https://img.shields.io/badge/Contributor%20Covenant-2.1-4baaaa.svg)](https://www.contributor-covenant.org/version/2/1/code_of_conduct/)

</div>


Python implementation of FLINT algorithm for NMR relaxation data.

This module provides a Python implementation of FLINT, a fast algorithm for estimating
1D/2D NMR relaxation distributions. The algorithm is based on the work of Paul Teal and
C. Eccles, who developed an adaptive truncation method for matrix decompositions to
efficiently estimate NMR relaxation distributions.

For more information on the FLINT algorithm, refer to the [official FLINT repository (Matlab)](https://github.com/paultnz/flint) and the paper by P.D. Teal and C. Eccles titled "Adaptive truncation of matrix decompositions and efficient estimation of NMR relaxation distributions" [published in Inverse Problems (April 2015)](http://dx.doi.org/10.1088/0266-5611/31/4/045010).


## Features

flintpy is built around the Flint class, which provides a simple approach to perform an inverse Laplace transform for 1D and 2D relaxation NMR data. Key features include:

- `T2`: T2 relaxation
- `T1IR`: T1 relaxation for inversion recovery experiments
- `T1SR`: T1 relaxation for saturation recovery experiments
- `T1IRT2`/`T1SRT2`: T1-T2 2D relaxation maps for inversion/saturation recovery-T2 experiments
- `T2T2`: T2-T2 2D relaxation maps T2-T2 experiments

## Quickstart
Check out the [notebooks](./notebooks) directory for Jupyter notebooks demonstrating how to use this library.

## Installation

```
pip install flintpy-nmr
```
## Credits

This package was created with [Cookiecutter][cookiecutter] and the [fedejaure/cookiecutter-modern-pypackage][cookiecutter-modern-pypackage] project template.

[cookiecutter]: https://github.com/cookiecutter/cookiecutter
[cookiecutter-modern-pypackage]: https://github.com/fedejaure/cookiecutter-modern-pypackage


            

Raw data

            {
    "_id": null,
    "home_page": "https://github.com/rserial/flintpy",
    "name": "flintpy-nmr",
    "maintainer": null,
    "docs_url": null,
    "requires_python": "<3.13,>=3.10",
    "maintainer_email": null,
    "keywords": "flintpy, flintpy-nmr, nmr",
    "author": "Raquel Serial",
    "author_email": "raquelserial@gmail.com",
    "download_url": "https://files.pythonhosted.org/packages/26/72/0323c59a83b4a8f49419ee52c8c1f08a6b6b5fa3cd0364dcc6adc66f2dde/flintpy_nmr-0.1.1.tar.gz",
    "platform": null,
    "description": "\n# Flintpy-NMR\n\n\n<div align=\"center\">\n\n<object data=\"_static/logo.png\" type=\"image/png\" width=\"300\">\n   <img src=\"assets/logo.png\" width=\"200\"/>\n</object>\n\n[![PyPI - Version](https://img.shields.io/pypi/v/flintpy-nmr.svg)](https://pypi.python.org/pypi/flintpy-nmr)\n[![PyPI - Python Version](https://img.shields.io/pypi/pyversions/flintpy-nmr.svg)](https://pypi.python.org/pypi/flintpy-nmr)\n[![Tests](https://github.com/rserial/flintpy/workflows/tests/badge.svg)](https://github.com/rserial/flintpy/actions?workflow=tests)\n[![Codecov](https://codecov.io/gh/rserial/flintpy/branch/main/graph/badge.svg)](https://codecov.io/gh/rserial/flintpy)\n[![Read the Docs](https://readthedocs.org/projects/flintpy/badge/)](https://flintpy.readthedocs.io/)\n[![PyPI - License](https://img.shields.io/pypi/l/flintpy-nmr.svg)](https://pypi.python.org/pypi/flintpy-nmr)\n\n[![Black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black)\n[![pre-commit](https://img.shields.io/badge/pre--commit-enabled-brightgreen?logo=pre-commit&logoColor=white)](https://github.com/pre-commit/pre-commit)\n[![Contributor Covenant](https://img.shields.io/badge/Contributor%20Covenant-2.1-4baaaa.svg)](https://www.contributor-covenant.org/version/2/1/code_of_conduct/)\n\n</div>\n\n\nPython implementation of FLINT algorithm for NMR relaxation data.\n\nThis module provides a Python implementation of FLINT, a fast algorithm for estimating\n1D/2D NMR relaxation distributions. The algorithm is based on the work of Paul Teal and\nC. Eccles, who developed an adaptive truncation method for matrix decompositions to\nefficiently estimate NMR relaxation distributions.\n\nFor more information on the FLINT algorithm, refer to the [official FLINT repository (Matlab)](https://github.com/paultnz/flint) and the paper by P.D. Teal and C. Eccles titled \"Adaptive truncation of matrix decompositions and efficient estimation of NMR relaxation distributions\" [published in Inverse Problems (April 2015)](http://dx.doi.org/10.1088/0266-5611/31/4/045010).\n\n\n## Features\n\nflintpy is built around the Flint class, which provides a simple approach to perform an inverse Laplace transform for 1D and 2D relaxation NMR data. Key features include:\n\n- `T2`: T2 relaxation\n- `T1IR`: T1 relaxation for inversion recovery experiments\n- `T1SR`: T1 relaxation for saturation recovery experiments\n- `T1IRT2`/`T1SRT2`: T1-T2 2D relaxation maps for inversion/saturation recovery-T2 experiments\n- `T2T2`: T2-T2 2D relaxation maps T2-T2 experiments\n\n## Quickstart\nCheck out the [notebooks](./notebooks) directory for Jupyter notebooks demonstrating how to use this library.\n\n## Installation\n\n```\npip install flintpy-nmr\n```\n## Credits\n\nThis package was created with [Cookiecutter][cookiecutter] and the [fedejaure/cookiecutter-modern-pypackage][cookiecutter-modern-pypackage] project template.\n\n[cookiecutter]: https://github.com/cookiecutter/cookiecutter\n[cookiecutter-modern-pypackage]: https://github.com/fedejaure/cookiecutter-modern-pypackage\n\n",
    "bugtrack_url": null,
    "license": null,
    "summary": "Python implementation of FLINT algorithm for NMR relaxation data.",
    "version": "0.1.1",
    "project_urls": {
        "Bug Tracker": "https://github.com/rserial/flintpy/issues",
        "Documentation": "https://flintpy.readthedocs.io",
        "Homepage": "https://github.com/rserial/flintpy",
        "Repository": "https://github.com/rserial/flintpy"
    },
    "split_keywords": [
        "flintpy",
        " flintpy-nmr",
        " nmr"
    ],
    "urls": [
        {
            "comment_text": "",
            "digests": {
                "blake2b_256": "b6d1734179be7ab7764fde77fa3a92a679add25cc7866df1fd63818952b54e90",
                "md5": "b41321de02e3e6e17994e7e0a09658c0",
                "sha256": "36aea70dac11a04a4d9b5cf9b498dae0a140d73dc54e857acd69de9c9187a54b"
            },
            "downloads": -1,
            "filename": "flintpy_nmr-0.1.1-py3-none-any.whl",
            "has_sig": false,
            "md5_digest": "b41321de02e3e6e17994e7e0a09658c0",
            "packagetype": "bdist_wheel",
            "python_version": "py3",
            "requires_python": "<3.13,>=3.10",
            "size": 10320,
            "upload_time": "2024-08-04T19:47:02",
            "upload_time_iso_8601": "2024-08-04T19:47:02.470740Z",
            "url": "https://files.pythonhosted.org/packages/b6/d1/734179be7ab7764fde77fa3a92a679add25cc7866df1fd63818952b54e90/flintpy_nmr-0.1.1-py3-none-any.whl",
            "yanked": false,
            "yanked_reason": null
        },
        {
            "comment_text": "",
            "digests": {
                "blake2b_256": "26720323c59a83b4a8f49419ee52c8c1f08a6b6b5fa3cd0364dcc6adc66f2dde",
                "md5": "4201396270ad197d4add09ba0ddc777f",
                "sha256": "366c0dbe9d677bc5af6521a137c9d8777ca214788898cce23b40e749cd74e249"
            },
            "downloads": -1,
            "filename": "flintpy_nmr-0.1.1.tar.gz",
            "has_sig": false,
            "md5_digest": "4201396270ad197d4add09ba0ddc777f",
            "packagetype": "sdist",
            "python_version": "source",
            "requires_python": "<3.13,>=3.10",
            "size": 10530,
            "upload_time": "2024-08-04T19:47:04",
            "upload_time_iso_8601": "2024-08-04T19:47:04.003137Z",
            "url": "https://files.pythonhosted.org/packages/26/72/0323c59a83b4a8f49419ee52c8c1f08a6b6b5fa3cd0364dcc6adc66f2dde/flintpy_nmr-0.1.1.tar.gz",
            "yanked": false,
            "yanked_reason": null
        }
    ],
    "upload_time": "2024-08-04 19:47:04",
    "github": true,
    "gitlab": false,
    "bitbucket": false,
    "codeberg": false,
    "github_user": "rserial",
    "github_project": "flintpy",
    "travis_ci": false,
    "coveralls": false,
    "github_actions": true,
    "lcname": "flintpy-nmr"
}
        
Elapsed time: 3.21966s