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flintpy-nmr

Python implementation of FLINT algorithm for NMR relaxation data.

https://github.com/rserial/flintpy

Science Score: 57.0%

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    Found 3 DOI reference(s) in README
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    Scientific vocabulary similarity
    Low similarity (15.0%) to scientific vocabulary

Keywords

flint ilt nmr
Last synced: 6 months ago · JSON representation ·

Repository

Python implementation of FLINT algorithm for NMR relaxation data.

Basic Info
Statistics
  • Stars: 3
  • Watchers: 2
  • Forks: 0
  • Open Issues: 11
  • Releases: 3
Topics
flint ilt nmr
Created over 1 year ago · Last pushed 6 months ago
Metadata Files
Readme Changelog Contributing License Code of conduct Citation Codeowners Security

README.md

Flintpy-NMR

[![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/)

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) 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).

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 directory for Jupyter notebooks demonstrating how to use this library.

Installation

pip install flintpy-nmr

Credits

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

Owner

  • Name: Raquel Serial
  • Login: rserial
  • Kind: user
  • Location: Hamburg

MRI scientist

Citation (CITATION.cff) 

# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!

cff-version: 1.2.0
title: Flintpy-NMR
message: >-
  If you use this software, please cite it using the
  metadata from this file.
type: software
authors:
  - given-names: Raquel
    family-names: Serial
    alias: fedejaure
identifiers:
  - type: url
    value: >-
      https://github.com/rserial/flintpy/releases/tag/v0.1.1
    description: The Software Heritage link for version 0.1.1.
repository-code: 'https://github.com/rserial/flintpy'
abstract: Python implementation of FLINT algorithm for NMR relaxation data.
keywords:
  - flintpy
  - flintpy-nmr
  - nmr
license: MIT
version: 0.1.1

GitHub Events

Total
  • Release event: 1
  • Watch event: 1
  • Delete event: 22
  • Issue comment event: 21
  • Push event: 35
  • Pull request review event: 2
  • Pull request event: 49
  • Create event: 25
Last Year
  • Release event: 1
  • Watch event: 1
  • Delete event: 22
  • Issue comment event: 21
  • Push event: 35
  • Pull request review event: 2
  • Pull request event: 49
  • Create event: 25

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 1
  • Total pull requests: 170
  • Average time to close issues: 14 minutes
  • Average time to close pull requests: 8 days
  • Total issue authors: 1
  • Total pull request authors: 4
  • Average comments per issue: 0.0
  • Average comments per pull request: 0.6
  • Merged pull requests: 49
  • Bot issues: 0
  • Bot pull requests: 153
Past Year
  • Issues: 1
  • Pull requests: 75
  • Average time to close issues: 14 minutes
  • Average time to close pull requests: 11 days
  • Issue authors: 1
  • Pull request authors: 3
  • Average comments per issue: 0.0
  • Average comments per pull request: 0.49
  • Merged pull requests: 8
  • Bot issues: 0
  • Bot pull requests: 74
View more stats
Top Authors
Issue Authors
  • fedejaure (1)
  • dependabot[bot] (1)
Pull Request Authors
  • dependabot[bot] (167)
  • fedejaure (13)
  • github-actions[bot] (8)
  • rserial (4)
Top Labels
Issue Labels
dependencies (1) github_actions (1)
Pull Request Labels
dependencies (172) python (119) github_actions (57) bug (4) enhancement (4) documentation (2)

Packages

  • Total packages: 1
  • Total downloads:
    • pypi 78 last-month
  • Total dependent packages: 0
  • Total dependent repositories: 0
  • Total versions: 2
  • Total maintainers: 1
pypi.org: flintpy-nmr

Python implementation of FLINT algorithm for NMR relaxation data.

  • Versions: 2
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 78 Last month
Rankings
Dependent packages count: 10.5%
Downloads: 20.9%
Average: 30.2%
Dependent repos count: 59.3%
Maintainers (1)
rserial
Last synced: 6 months ago

Dependencies

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