Other packages/toolboxes
Regularization toolbox
A general framework for regularized conversion of DEER (PELDOR) data to distance distributions. In particular, Osher's Bregman-iterative regularization is implemented, which better preserves features of the distribution for moderately noisy data. Written by Luis Fábregas Ibáñez.
ZFS library
Libraries and scripts for fitting zero-field splitting distributions to multi-frequency EPR data and software for predicting such distributions from a crystal structure of a lanthanide complex by a superposition model (see J. A. Clayton, K. Keller et al. Phys. Chem. Chem. Phys. 2018, 20, 10470-10492, external page10.1039/c7cp08507acall_made) Written by Katharina Keller with input from Jessica Clayton and Gunnar Jeschke.
DeerAnalysis2019
A program for extracting distance distributions from dead-time free pulsed electron electron double resonance (DEER, PELDOR) data with MATLAB. Including DEERNet neural network processing. Replaces DeerAnalysis2018, as it is mainly a bug fix.
5-pulse DEER artefact removal tool
DownloadMatlab scripts and example data (ZIP, 12.8 MB)vertical_align_bottom as well as DownloadBruker PulseSPEL files (ZIP, 3 KB)vertical_align_bottom for measuring and processing 5-pulse DEER data in a way that identifies and removes the 4-pulse artefact. See Breitgoff et.al., Phys. Chem. Chem. Phys., 2017, 19, 15754-15765 (DOI: 10.1039/c7cp01487b) Developed by Frauke Breitgoff, Yevhen Polyhach and Gunnar Jeschke.
Overtone Analysis
A program for analysing RIDME data of high-spin systems, such as Gd(III) or Mn(II). The interface is very similar to DeerAnalysis. See DOI:10.1039/C7CP01524K for more information. Written by Katharina Keller (based on DeerAnalysis).
DEER Analysis 2016
A program for extracting distance distributions from dead-time free pulsed electron electron double resonance (DEER, PELDOR) data with MATLAB (Bug fix August 30th 2017 with speedup for Tikhonov regularization at large regularization parameters).
SPIDYAN 2.0
Spin dynamics analysis (SPIDYAN) is an open-source program for simulation of spin dynamics phenomena and pulse EPR experiments with MATLAB. Features include propagation in Hilbert and Liouville spaces (for relaxation effects), simulation in different rotating frames, resonator effects, bandwidth compensation for pulses and phase cycling.
The new version now supports arbitrary spin systems and uses an interaction table for constructing Hamiltonians. The program now also natively supports hyperbolic secant (HS) and WURST pulses.
Several performance upgrades were implemented, as well as bugs from version 1 eliminated.
The examples from the documentation are provided together with the program code. Written by Stephan Pribitzer.
The current version was tested on MATLAB 2014a and may not work with previous versions.
- DownloadDownload SPIDYAN 2.0 (ZIP, 47 KB)vertical_align_bottom
- DownloadDownload Documentation (PDF, 1.2 MB)vertical_align_bottom
SPIDYAN 2.0rc
Spin dynamics analysis (SPIDYAN) is an open-source program for simulation of spin dynamics phenomena and pulse EPR experiments with MATLAB. Features include propagation in Hilbert and Liouville spaces (for relaxation effects), simulation in different rotating frames, resonator effects, bandwidth compensation for pulses and phase cycling.
The new version now supports arbitrary spin systems and uses an interaction table for constructing Hamiltonians. The program now also natively supports hyperbolic secant (HS) and WURST pulses.
Several performance upgrades were implemented, as well as bugs from version 1 eliminated.
The current version was tested on MATLAB 2014a and may not work with previous versions.
SPIDYAN 1.0
Spin dynamics analysis (SPIDYAN) is an open-source program for simulation of spin dynamics phenomena and pulse EPR experiments with MATLAB. Features include propagation in Hilbert and Liouville spaces (for relaxation effects), simulation in different rotating frames, resonator effects, bandwidth compensation for pulses and phase cycling.
The current version was tested on MATLAB 2014a and may not work with previous versions.
- DownloadDownload SPIDYAN 1.0 (ZIP, 490 KB)vertical_align_bottom
- DownloadDocumentation (PDF, 350 KB)vertical_align_bottom
- DownloadQuick reference guide (PDF, 118 KB)vertical_align_bottom
BlochSolver2010
Slightly improved version of BlochSolver, which runs only under MATLAB. Full source code provided.
And older version is also available.
Virtual EPR
A basic CW EPR spectrometer simulation with only one DPPH-like sample.