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  • Title: Data pre-processing in liquid chromatography-mass spectrometry-based proteomics.
    Author: Zhang X, Asara JM, Adamec J, Ouzzani M, Elmagarmid AK.
    Journal: Bioinformatics; 2005 Nov 01; 21(21):4054-9. PubMed ID: 16150809.
    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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