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Software

          SimPel - Simulation of PELDOR time traces (Python3, PyQt5) 

SimPel is a open-source Python3 GUI application for the simulation of user-defined PELDOR time traces.

SimPel can be downloaded as executable binary for Windows and Linux. It was tested on various systems including Windows 7 (32-bit and 64-bit architecture), Windows 10 (32-bit and 64-bit architecture) and Ubuntu 16.04.

Download:

Source Code:

PyPI: https://pypi.org/project/SimPel

Install via Pip (Python >= 3.5 is required): pip install simpel

Run it on the console with: SimPel

License:

SimPel is distributed under a GPLv3 license.

Literature:

 S. Rein, P. Lewe, S. L. Andrade, S. Kacprzak, and S.Weber. Journal of Magnetic Resonance, 295 (2018) 17–26

 

          GloPel - (Global) Analysis of PELDOR time traces (Python3, PyQt5) 

GloPel is a open-source Python3 GUI application for the analysis and global analysis of PELDOR time traces. GloPel was published in 2018, so please give credits citing the appropriate reference:

S. Rein, P. Lewe, S. L. Andrade, S. Kacprzak, and S.Weber. Journal of Magnetic Resonance, 295 (2018) 17–26,

GloPel can be downloaded as executable binary for Windows and Linux. It was tested on various systems including Windows 7 (32-bit and 64-bit architecture), Windows 10 (32-bit and 64-bit architecture) and Ubuntu 16.04.

Download:

Source Code:

PyPI:  https://pypi.org/project/GloPel 

Install via Pip (Python >= 3.5 is required): pip install glopel

Run it on the console with: glopel

License:

GloPel is distributed under a GPLv3 license.

Test files

 

GloPel GUI:

GUI_Pic

 

          SpecProFi - Spectra Processing and Fitting (MATLAB toolbox)

SpecProFi is an open-source MATLAB-based data-processing and fitting framework. SpecProFi supports the global analysis of multiple experimental data sets. The program relies on the EasySpin simulation routines [1] but can be used without any commercial toolbox.

Installation:

Download the SpecProFi folder, unzip it and link the path to your MATLAB workspace. Do the same for the current EasySpin version.

Update:

  • 05.03.2021: Version 1.0.2 available.
  1. Typo fixed: symmterisize.m -> symmetrisize.m
  2. Updated check for Parallel Computing Toolbox.
  3. Fixed some plotting bugs  caused by weighting.
  4. Parallel Computing bug fixed.

Download:

Literature:

 [1] S. Stoll and A. Schweiger, J. Magn. Reson. 178(1), 42-55 (2006)

 

Manuals

GloPel Manual

SimPel Manual

SpecProFi Manual