Difference between revisions of "EPR Simulations with EasySpin"

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(Created page with "== 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 functio...")
 
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== Creating a Simulation ==
 
== Creating a Simulation ==
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The central concept to constructing a simulation with EasySpin is defining a Spin System (Sys) and Experimental Parameters (Exp).
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=== Spin System ===

Revision as of 19:28, 7 February 2019

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).

Spin System