Metadata-Version: 2.1
Name: pynmr
Version: 0.30
Summary: Parse and Process NMR data.
Home-page: http://github.com/bennomeier/pyNMR
Author: Benno Meier
Author-email: meier.benno@gmail.com
License: MIT
Description: 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 this point these formats are not
        officially supported.
        
        
        Installation
        ------------
        
        pynmr is available at pip. It may be installed
        with
        
        ::
        
        	pip install pynmr
        
        
        
        Usage
        ------------
        To import a Bruker dataset instantiate an nmr Data  object:
        
        ..code:: python
        
        	 import pynmr
        	 path = "pathToTopSpin/"
        	 
        	 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.
        
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
