deerlab.ex_3pdeer#

ex_3pdeer(tau, pathways=[1, 2], pulselength=0.016)[source]#

Generate a 3-pulse DEER dipolar experiment model.

The figure below shows the dipolar pathways in 3-pulse DEER. The observer (black) and pump (grey) pulses and their interpulse delays are shown on the top. The middle table summarizes all detectable modulated dipolar pathways p along their dipolar phase accumulation factors \mathbf{s}_p, harmonics \delta_p and refocusing times t_{\mathrm{ref},p}. The most commonly encountered pathways are highlighted in color. The bottom panel shows a decomposition of the dipolar signal into the individual intramolecular contributions (shown as colored lines).

../_images/ex_3pdeer_pathways.png

Source: L. Fábregas-Ibáñez, Advanced data analysis and modeling in dipolar EPR spectroscopy, Doctoral dissertation, 2022#

Parameters:
taufloat scalar

Static interpulse delay \tau.

pathwaysarray_like, optional

Pathways to include in the model. The pathways are specified as a list of pathways labels p. By default, both pathways are included as shown in the table above.

pulselengthfloat scalar, optional

Length of the longest microwave pulse in the sequence in microseconds. Used to determine the uncertainty in the boundaries of the pathway refocusing times.

Returns:
experimentExperimentInfo object

Experiment object. Can be passed to dipolarmodel to introduce better constraints into the model.