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NMR Spectrum viewer with peak picking, integration and multiplet analysis functions built in and a search engine using metadata obtained by NMR spectra analysis (SH Project - CS St Andrews)

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The tool enables to visualise 1D NMR spectra stored in the raw native Bruker format and performs chemical shift referencing, peak picking, integration and multiplet analysis. Processing of NMR data is done by NMRGLUE - a module for working with NMR data in Python (https://www.nmrglue.com/) and spectra are visualised using an interactive visualization library Bokeh (https://bokeh.pydata.org/en/latest/).

nmr tool

The engine allows users to search for NMR data using various metadata (chemical shift, multiplicity etc.) stored in the database by NMR analysis tool. The search engine performs a whole or partial match search on the data stored in the database and returns the spectra that matches the input.

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NMR Spectrum viewer with peak picking, integration and multiplet analysis functions built in and a search engine using metadata obtained by NMR spectra analysis (SH Project - CS St Andrews)

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