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Bioinformatics. 2005 Nov 1;21(21):4054-9. Epub 2005 Sep 8.

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

Author information

1
Bindley Bioscience Center, Purdue University West Lafayette, IN, USA. zhang100@purdue.edu

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.

PMID:
16150809
DOI:
10.1093/bioinformatics/bti660
[Indexed for MEDLINE]

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