EPR Simulations with EasySpin

Overview

This page serves as a resource to assist those trying to simulate EPR spectra with the EasySpin MATLAB package.

Importing Data

EasySpin has a function for doing this, called eprload(). The method used to import your data depends on the format in which your experimental data is saved:

• For Modern Bruker Spectrometer Data:

    [B,spc] = eprload('mydata');

• For Older Bruker Spectrometer Data:

    [B,spc] = eprload('myolddata.spc');
    [B,spc] = eprload('myolddata.par');

The function changes when you are trying to load a text file of data:

• For Data Stored in Text Files:

    [B,spc] = textread('mydata.txt','%f %f');

• Text Files with Header Information:

    [B,spc] = textread('mydata.txt','%f %f','headerlines',17)

Creating a Simulation

The central concept to constructing a simulation with EasySpin is defining a Spin System (Sys) and Experimental Parameters (Exp).