Examples#

Here is a collection of example scripts for the use of DeerLab.

Basic

These are basic examples for routine operations in DeerLab.

Simulating a 5-pulse DEER signal — Simulating a 5-pulse DEER signal#

Simulating a 4-pulse DEER signal — Simulating a 4-pulse DEER signal#

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

Basic analysis of a 4-pulse DEER signal — Basic analysis of a 4-pulse DEER signal#

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

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#

Bootstrapped confidence intervals in routine analysis — Bootstrapped confidence intervals in routine analysis#

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

Basic fitting of a 5-pulse DEER signal — Basic fitting of a 5-pulse DEER signal#

Analysis of a 4-pulse DEER signal with multiple dipolar pathays — Analysis of a 4-pulse DEER signal with multiple dipolar pathays#

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 pathays — Analysis of a 5-pulse DEER signal with multiple dipolar pathays#

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#

Profile analysis in routine analysis#

Advanced

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

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#

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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Simulating a 5-pulse DEER signal