ADAP-GC 3.2: Graphical Software Tool for Efficient Spectral Deconvolution of Gas Chromatography-High-Resolution Mass Spectrometry Metabolomics Data.
Smirnov, Aleksandr; Jia, Wei; Walker, Douglas I; Jones, Dean P; Du, Xiuxia.
J Proteome Res
; 17(1): 470-478, 2018 01 05.
Artigo em Inglês | MEDLINE | ID: mdl-29076734
Global spectral deconvolution based on non-negative matrix factorization in GC × GC-HRTOFMS.
Optimizing targeted/untargeted metabolomics by automating gas chromatography/mass spectrometry workflows.
Extending the Dynamic Range in Metabolomics Experiments by Automatic Correction of Peaks Exceeding the Detection Limit.
Workflow4Metabolomics: a collaborative research infrastructure for computational metabolomics.
Web Server for Peak Detection, Baseline Correction, and Alignment in Two-Dimensional Gas Chromatography Mass Spectrometry-Based Metabolomics Data.
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Data Processing for GC-MS- and LC-MS-Based Untargeted Metabolomics.
proFIA: a data preprocessing workflow for flow injection analysis coupled to high-resolution mass spectrometry.
DIA-Umpire: comprehensive computational framework for data-independent acquisition proteomics.