Metadata-Version: 2.1
Name: pyDEER
Version: 1.0.2
Summary: A Python Package for Fitting Double Electron-Electron Resonance Data
Home-page: https://github.com/tkellerBridge12/pyDEER
Author: Timothy Keller
Author-email: tkeller@bridge12.com
License: UNKNOWN
Project-URL: Source Code, https://github.com/tkellerBridge12/pyDEER
Project-URL: Documentation, https://pydeer.readthedocs.io/
Description: # README #
        
        pyDEER is a python package for Double Electron-Electron Resonance
        
        ### Requirements ###
        
        * Python3 (>= 3.6)
        * numpy
        
        ```console
        python -m pip install numpy
        ```
        
        ### Importing ELEXSYS Data ###
        
        ```python
        import pyDEER as deer
        path = 'path/to/deer/data/including/filename'
        deer.load_elexsys(path)
        ```
        
        ### Performing Tikhonov Regularization ###
        
        ```python
        import numpy as np
        from matplotlib.pylab import *
        import pyDEER as deer
        
        r = np.r_[1.5e-9:10e-9:100j]
        t = np.r_[-100e-9:5e-6,500j]
        
        K = deer.kernel(t,r,angles = 1000)
        
        P_gauss = gaussian(r, 0.2e-9, 4-9)
        
        S = np.dot(K,P_gauss)
        
        S = deer.add_noise(S)
        
        P_lambda = deer.tikhonov(K,S)
        
        figure('P(r)')
        plot(r*1e9,P_lambda,label = 'Exact')
        plot(r*1e9,P_lambda,label = 'Tikhonov')
        xlabel('r (nm)')
        ylabel('P(r)')
        legend()
        show()
        ```
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=2.7, >=3.6
Description-Content-Type: text/markdown
