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Updated: Jul 20, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
Java applets for viewing one- and two-dimensional NMR spectra
1Eli Lilly and Company Ltd, Lilly Research Centre, Erl Wood Manor, Sunninghill Road, Windlesham, Surrey, GU20 6PH, UK. sharman_gary_gs@lilly.com
Two Java applets enable web-based viewing and reprocessing of nuclear magnetic resonance (NMR) spectra. These tools facilitate basic spectral analysis directly within a web page, enhancing accessibility for researchers.
Area of Science:
- Computational Chemistry
- Spectroscopy
- Biochemistry
Background:
- Nuclear Magnetic Resonance (NMR) spectroscopy is a vital technique in chemistry and biology.
- Analyzing NMR spectra often requires specialized software, limiting accessibility.
- Web-based tools can democratize access to scientific data analysis.
Purpose of the Study:
- To develop and describe two Java applets for viewing and reprocessing NMR spectra.
- To enable basic NMR spectral analysis directly within a web browser.
- To support common NMR data formats and processing operations.
Main Methods:
- Development of two Java applets: a 1D NMR spectrum viewer and a 2D NMR spectrum viewer.
- Implementation of functionalities for phasing, integration, peak picking, and referencing in the 1D viewer.
- Support for reading processed data files from Bruker, Varian, and JCAMP-DX formats, and native Bruker 2D data.
Main Results:
- Successfully created functional Java applets for interactive NMR spectral analysis.
- The 1D applet supports essential reprocessing operations, enhancing data interpretation.
- The 2D applet provides f2 phasing and referencing capabilities for 2D NMR data.
Conclusions:
- The developed Java applets offer a convenient and accessible platform for NMR spectral analysis.
- These web-based tools can streamline the process of viewing and performing basic reprocessing of NMR data.
- The applets are available upon request, promoting wider adoption and use in scientific research.
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