Display Settings:

Format

Send to:

Choose Destination

    BioData Min. 2009 Apr 7;2(1):4.

    Statistical quality assessment and outlier detection for liquid chromatography-mass spectrometry experiments.

    Schulz-Trieglaff O, Machtejevas E, Reinert K, Schlüter H, Thiemann J, Unger K.

    International Max Planck Research School for Computational Biology and Scientific Computing, Berlin, Germany. trieglaf@inf.fu-berlin.de.

    ABSTRACT: BACKGROUND: Quality assessment methods, that are common place in engineering and industrial production, are not widely spread in large-scale proteomics experiments. But modern technologies such as Multi-Dimensional Liquid Chromatography coupled to Mass Spectrometry (LC-MS) produce large quantities of proteomic data. These data are prone to measurement errors and reproducibility problems such that an automatic quality assessment and control become increasingly important. RESULTS: We propose a methodology to assess the quality and reproducibility of data generated in quantitative LC-MS experiments. We introduce quality descriptors that capture different aspects of the quality and reproducibility of LC-MS data sets. Our method is based on the Mahalanobis distance and a robust Principal Component Analysis. CONCLUSION: We evaluate our approach on several data sets of different complexities and show that we are able to precisely detect LC-MS runs of poor signal quality in large-scale studies.

    PMID: 19351414 [PubMed - in process]

    PMCID: PMC2678124

    Supplemental Content

    Click here to read Click here to read