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Merge pull request #195 from ansgarkorf/GC-EI-Screeshot-update
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Update GC-EI
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ansgarkorf authored Nov 23, 2024
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This ADAP inspired method groups resolved features into pseudo spectra, representing deconvoluted GC-EI spectra. It clusters features based on retention time and other parameters to construct fragmentation spectra for analytes.

info!!!

This module requires resolved features. Run this module after feature resolving, e.g. Local Minimum Resolver.

The following steps are performed depending on the selected Deconvolution algorithm:

### Deconvolution algorithm: rt grouping and shape correlation
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References
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Smirnov A, Jia W, Walker D, Jones D, Du X: ADAP-GC 3.2: Graphical Software Tool for Efficient Spectral Deconvolution of Gas Chromatography—High-Resolution Mass Spectrometry Metabolomics Data. J. Proteome Res 2017, DOI: <a>10.1021/acs.jproteome.7b00633</a>
Smirnov A, Jia W, Walker D, Jones D, Du X: ADAP-GC 3.2: Graphical Software Tool for Efficient Spectral Deconvolution of Gas Chromatography—High-Resolution Mass Spectrometry Metabolomics Data. J. Proteome Res 2017, DOI: <a>10.1021/acs.jproteome.7b00633</a>

## Parameters

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