Metadata-Version: 2.1
Name: pynmr
Version: 0.2
Summary: Parse and Prosess NMR data.
Home-page: http://github.com/bennomeier/pyNMR
Author: Benno Meier
Author-email: meier.benno@gmail.com
License: MIT
Keywords: pyNMR NMR TopSpin RS2D NTNMR Magritek
Platform: UNKNOWN
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Topic :: Scientific/Engineering :: Physics
Description-Content-Type: text/markdown
Requires-Dist: numpy
Requires-Dist: spindata
Requires-Dist: scipy
Requires-Dist: paramiko
Requires-Dist: pyqtgraph
Requires-Dist: PyQt5
Requires-Dist: struct
Requires-Dist: BeautifulSoup

pyNMR
=============

pyNMR is a set of python modules to parse, process, and analyze NMR data.

There are some fragments of a graphical user interface but at this point pyNMR is best used together with Jupyter Lab.

Currently supported NMR formats are Bruker TopSpin and RS2D.

There is some code for parsing files from Tecmag NTNMR, Magritek, and Varian under pyNMR/model/parser, but at htis point these formats are not
officially supported.



Installation
------------

pyNMR is available at pip. It may be installed
with

>>> pip install pynmr

or with

>>> easy_install pynmr


Usage
------------
To import a Bruker dataset instantiate an nmr Data object:

import pynmr
>>> path = "pathToTopSpin/"
>>> data =


>>> import pyNMR.model.parser.topSpin as T
>>> import pyNMR.model.processor as P
>>> import pyNMR.model.operations as O
>>> 
>>> import matplotlib.pyplot as plt
>>> import numpy as np
>>> 
>>> data = T.TopSpin("./data/bruker/dnp_210316_1_solids/1/")
>>> 
>>> Processor = P.Processor([O.LeftShift(21),
>>>                          O.LineBroadening(0.2),
>>>                          O.FourierTransform(),
>>>                        O.Phase0D(190)])
>>> Processor.runStack(data)



Internal Notes
-------------
To install this package locally and install for development, use this command

>>> pip install -e ./

More info available here: https://packaging.python.org/tutorials/installing-packages/


MIT License
-----------

Copyright (c) 2022 Benno Meier

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.


