Easy to use scraper to batch download infrared spectra from the free website Spectral Database for Organic Compounds (SDBS), extract and store its numerical data into a database (.db file from sqlite3) for data analysis.
You can access the tutorial here and follow the step by step guide.
The purpose of the spectra scraper is to return a complete spectral_database.db file at the end to be use for any spectral related machine learning training or batch data analysis.
- Numerical data extraction made with standard WebPlotDigitizer.
- Data extracted from the Spectral Database for Organic Compounds (SDBS).
- Baseline correction (Whittaker smoothing & airPLS) from Z.-M. Zhang, S. Chen, and Y.-Z. Liang, 2010.
MIT © Spectra Scraper