In 2012, I developed this software in partnership with the Chemistry Department of the University of Liege. Since I maintain the software code.
ULgSpectra is a spectral database system for organic compounds. For each compound, the database can include eight different types of spectra displayed as images or data spectra. Electron impact Mass spectra (EI-MS), infrared (IR) spectra and Raman spectra are stored as images.
The data spectra include:
- 1-dimensional proton or carbon-13 nuclear magnetic resonance (NMR) spectra,
- 2-dimensional NMR-HCosy, NMR-HSQC-HC and NMR-HMBC-HC.
The system can also include documents or spreadsheets.
The data are stored in a PostgreSQL database. The client application is developed in Java and works under Windows, Linux and Mac.
The experience description.
1D NMR-H spectrum.
You can zoom into a spectrum and perform peak integration.
2D NMR-HCosy spectrum, levels can be adjusted.