Chemistry

Spectroscopy with MATLAB and Simulink

MATLAB provides a powerful environment for processing, analyzing, and visualizing spectroscopy data, including NMR, chromatography, and mass spectrometry. With robust toolboxes and customizable workflows, you can automate data import, perform advanced signal processing, and extract meaningful insights from complex datasets.

With MATLAB and Simulink, you can:

  • Import, preprocess, and visualize NMR, chromatography, and mass spectrometry data for interpretation 
  • Apply advanced signal processing techniques to enhance spectra, remove noise, and correct baseline artifacts 
  • Build and automate analysis pipelines for quantification, peak detection, and compound identification 
  • Integrate machine learning methods to classify, cluster, or predict chemical properties from spectroscopic data 
  • Develop and share educational modules to teach spectroscopy data analysis and coding skills in chemistry
Word cloud featuring terms related to tools and techniques for chemical data analysis.

NMR Data Processing and Analysis

Enhance your teaching with MATLAB code examples for NMR data processing. Demonstrate peak picking, baseline correction, and spectral analysis in the classroom.

 Left: FID of ethyl crotonatet. Middle: distorted frequency-domain spectrum. Right: corrected spectrum with flat baseline.
EasySpin modeling complex spin systems and extracting magnetic parameters from experimental data using fitting techniques.

Electron Paramagnetic Resonance (EPR)

Explore EasySpin, a MATLAB community toolbox for EPR spectroscopy, that serves as a resource for teaching, simulating, and analyzing EPR data in your research or classroom.

Chromatography

Explore the MATLAB community toolbox for Chromatography—a resource for teaching and analyzing chromatography data, including peak integration and visualization.

Analysis of chromatography and mass spectrometry data with open-source MATLAB community toolbox.
Flowchart of roles of mass spectrometry functions in the community toolbox.

Mass Spectrometry

Ideal for both education and research, the toolbox enables hands-on exploration of MS data processing workflows, teaching users how to clean, interpret, and extract meaningful insights from complex analytical datasets.

Products

Learn about the products used for spectroscopy applications.