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Data pre-processing in liquid chromatography-mass spectrometry-based proteomics.

Xiang Zhang·John M Asara·Jiri Adamec·Mourad Ouzzani·Ahmed K Elmagarmid
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Abstract

MOTIVATION: In a liquid chromatography-mass spectrometry (LC-MS)-based expressional proteomics, multiple samples from different groups are analyzed in parallel. It is necessary to develop a data mining system to perform peak quantification, peak alignment and data quality assurance. RESULTS: We have developed an algorithm for spectrum deconvolution. A two-step alignment algorithm is proposed for recognizing peaks generated by the same peptide but detected in different samples. The quality of LC-MS data is evaluated using statistical tests and alignment quality tests. AVAILABILITY: Xalign software is available upon request from the author.

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AlgorithmsArtificial IntelligenceChromatography, LiquidDatabase Management SystemsDatabases, ProteinDiagnosis, Computer-AssistedGene Expression ProfilingHumansInformation Storage and RetrievalMass SpectrometryPeptide MappingProteinsReproducibility of ResultsSensitivity and SpecificitySequence Analysis, ProteinJournal ArticleResearch Support, N.I.H., ExtramuralResearch Support, Non-U.S. Gov'tResearch Support, U.S. Gov't, Non-P.H.S.

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Xiang Zhang, John M Asara, Jiri Adamec, Mourad Ouzzani, Ahmed K Elmagarmid. 2005-09-08. Data pre-processing in liquid chromatography-mass spectrometry-based proteomics.. https://doi.org/10.1093/bioinformatics%2Fbti660

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