Data pre-processing in liquid chromatography-mass spectrometry-based proteomics
- PMID: 16150809
- DOI: 10.1093/bioinformatics/bti660
Data pre-processing in liquid chromatography-mass spectrometry-based proteomics
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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