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 4-pulse DEER signal

Simulating a 5-pulse DEER signal

Simulating a 5-pulse DEER signal

Simulating a three-pathway 4-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 4-pulse DEER signal

Basic analysis of a RIDME signal

Basic analysis of a RIDME signal

Analysis of a 4-pulse DEER signal with a compactness penalty

Analysis of a 4-pulse DEER signal with a compactness penalty

Bootstrapped confidence intervals in routine analysis

Bootstrapped confidence intervals in routine analysis

Basic analysis of a 4-pulse DEER signal with a bimodal Gaussian model

Basic analysis of a 4-pulse DEER signal with a bimodal Gaussian model

Basic fitting of a 5-pulse DEER signal

Basic fitting of a 5-pulse DEER signal

Distance restraints from 4-pulse DEER data, non-parametric distribution

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

Validating multi-pathway models based on the data

Analysis of a 4-pulse DEER signal with multiple dipolar pathways

Analysis of a 4-pulse DEER signal with multiple dipolar pathways

Analysis of a 6-pulse DQC 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

Global fitting of multiple 4-pulse DEER signals, non-parametric distribution

Analysis of a 5-pulse DEER signal with multiple dipolar pathways

Analysis of a 5-pulse DEER signal with multiple dipolar pathways

Basic analysis of a sparsely sampled 4-pulse DEER signal

Basic analysis of a sparsely sampled 4-pulse DEER signal

Comparing the analysis with and without compactness criterion

Comparing the analysis with and without compactness criterion

Global fitting of multiple different DEER signals

Global fitting of multiple different DEER signals

Analysing the selection of regularisation parameter

Analysing the selection of regularisation parameter

Analyzing data with crossing echoes robustly

Analyzing data with crossing echoes robustly

Advanced

These examples showcase deeper usage of DeerLab and the fitting of more complex and custom models.

Simulating polarization effects on low-temperature DEER

Simulating polarization effects on low-temperature DEER

Identifiability analysis of a 4-pulse DEER signal via the profile analysis method

Identifiability analysis of a 4-pulse DEER signal via the profile analysis method

Comparing confidence intervals for regularization results

Comparing confidence intervals for regularization results

Simulating orientation selection effects in dipolar signals

Simulating orientation selection effects in dipolar signals

Fitting Gaussians to a non-parametric distance distribution fit

Fitting Gaussians to a non-parametric distance distribution fit

Profile analysis in routine analysis

Profile analysis in routine analysis

Multi-Gaussian analysis of a dipolar signal

Multi-Gaussian analysis of a dipolar signal

Global fitting of a two-state model to a series of DEER traces

Global fitting of a two-state model to a series of DEER traces

Dipolar pathways model selection

Dipolar pathways model selection

Fit a polynomial force field to a dipolar signal

Fit a polynomial force field to a dipolar signal

Analyzing pseudo-titration (dose-response) curves with non-parametric distributions

Analyzing pseudo-titration (dose-response) curves with non-parametric distributions

Global analysis of 5-pulse DEER on a liquid-droplet protein system

Global analysis of 5-pulse DEER on a liquid-droplet protein system

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