Examples¶
Here is a collection of example scripts for the use of DeerLab.
Basic - Simulations
These are basic examples for performing dipolar EPR simulations in DeerLab.
Simulating a 4-pulse DEER signal
Simulating a 5-pulse DEER signal
Simulating a three-pathway 4-pulse DEER signal
Basic - Analysis
These are basic examples for routine dipolar EPR analyses in DeerLab.
Basic analysis of a 4-pulse DEER signal
Basic analysis of a RIDME signal
Analysis of a 4-pulse DEER signal with a compactness penalty
Bootstrapped confidence intervals in routine analysis
Basic analysis of a 4-pulse DEER signal with a bimodal Gaussian model
Basic fitting of a 5-pulse DEER signal
Distance restraints from 4-pulse DEER data, non-parametric distribution
Intermediate
These are simple examples for performing other dipolar EPR analyses in DeerLab.
Validating multi-pathway models based on the data
Analysis of a 4-pulse DEER signal with multiple dipolar pathways
Analysis of a 6-pulse DQC signal with multiple dipolar pathways
Global fitting of multiple 4-pulse DEER signals, non-parametric distribution
Analysis of a 5-pulse DEER signal with multiple dipolar pathways
Basic analysis of a sparsely sampled 4-pulse DEER signal
Comparing the analysis with and without compactness criterion
Global fitting of multiple different DEER signals
Analyzing data with crossing echoes robustly
Analysing the selection of regularisation parameter
Advanced
These examples showcase deeper usage of DeerLab and the fitting of more complex and custom models.
Simulating polarization effects on low-temperature DEER
Identifiability analysis of a 4-pulse DEER signal via the profile analysis method
Comparing confidence intervals for regularization results
Simulating orientation selection effects in dipolar signals
Fitting Gaussians to a non-parametric distance distribution fit
Profile analysis in routine analysis
Multi-Gaussian analysis of a dipolar signal
Global fitting of a two-state model to a series of DEER traces
Dipolar pathways model selection
Fit a polynomial force field to a dipolar signal
Analyzing pseudo-titration (dose-response) curves with non-parametric distributions
Global analysis of 5-pulse DEER on a liquid-droplet protein system