Spectral Nexus

A tool for identifying chemical compounds through weighted analysis of FT-IR spectra. It compares user-supplied spectral data with a reference database and returns a *.pdf report of the five most similar compounds.

Instalation

Clone the repository:

git clone https://github.com/jgmotta98/spectral-nexus.git

Install dependencies:

pip install -r requirements.txt

Run the run_servers.bat file:

\run_servers.bat

Features

• Selective filtering of spectral bands based on user-defined parameters.

• Correlation of inputted FT-IR spectra bands with the database to find the most similar compounds.

• Provides a downloadable *.pdf report containing informative graphs and tables highlighting the five most similar compounds.

Learn More

You can find more information and resources in the complete documentation.

Credits

• Baseline correction (Whittaker smoothing & airPLS) from Z.-M. Zhang, S. Chen, and Y.-Z. Liang, 2010.

License

MIT © Spectral Nexus