PySpecData ProcScripts

This is the documentation for a set of processing scripts based on the pyspecdata module.

To jump into examples, click here. (Note that because this an actively developed project, you might find some “broken” examples: this doesn’t mean the project isn’t maintained, just that those are features that are still under active development!)

Intro

This set of scripts utilizes pySpecData to perform various signal processing tasks that we use for Overhauser Dynamic Nuclear Polarization. The examples show how to utilize several functions that include:

• signal alignment

• integration

  • including propagation of associated error

• phase correction of spin echoes (as in Beaton, Guinness, Franck JCP 2022)

• several examples of utilizing the pySpecData fitting functionality

  • nutation curves (SE and FID)

  • fast inversion recovery

  • \(E(p)\) curves for \(k_{\sigma}\) (as of Oct ‘24, we are in the process of revamping/simplifying this)

Most of the signal is currently native pySpecData-style HDF5 data, although we have plans to include some high-field Bruker processing here as well.

Example Gallery

• ProcScripts Example Gallery