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Prototype algorithm that analyzes and classifies components based on filtered bands in FT-IR spectral data.

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Spectral Algorithm Prototype

  • 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.

  • Outputs a report with informative graphs and tables in *.pdf indicating the five most similar compounds.

How to use

Use the database returned from the Spectra Scraper to feed the algorithm. Use a *.csv file to input the FT-IR spectral data.

Modify all paths accordingly on config.py. Run main.py.

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MIT © Spectral Algorithm Prototype

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Prototype algorithm that analyzes and classifies components based on filtered bands in FT-IR spectral data.

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