Combining peak- and chromatogram-based retention time alignment algorithms for multiple chromatography-mass spectrometry datasets
نویسندگان
چکیده
منابع مشابه
Graph-based peak alignment algorithms for multiple liquid chromatography-mass spectrometry datasets
UNLABELLED Liquid chromatography coupled to mass spectrometry (LC-MS) is the dominant technological platform for proteomics. An LC-MS analysis of a complex biological sample can be visualized as a 'map' of which the positional coordinates are the mass-to-charge ratio (m/z) and chromatographic retention time (RT) of the chemical species profiled. Label-free quantitative proteomics requires the a...
متن کاملIncorporating peak grouping information for alignment of multiple liquid chromatography-mass spectrometry datasets
MOTIVATION The combination of liquid chromatography and mass spectrometry (LC/MS) has been widely used for large-scale comparative studies in systems biology, including proteomics, glycomics and metabolomics. In almost all experimental design, it is necessary to compare chromatograms across biological or technical replicates and across sample groups. Central to this is the peak alignment step, ...
متن کاملChromA: signal-based retention time alignment for chromatography–mass spectrometry data
SUMMARY We describe ChromA, a web-based alignment tool for chromatography-mass spectrometry data from the metabolomics and proteomics domains. Users can supply their data in open and standardized file formats for retention time alignment using dynamic time warping with different configurable local distance and similarity functions. Additionally, user-defined anchors can be used to constrain and...
متن کاملImproving mass spectrometry peak detection using multiple peak alignment results.
Mass spectrometry data are often corrupted by noise. It is very difficult to simultaneously detect low-abundance peaks and reduce false-positive peak detection caused by noise. In this paper, we propose to improve peak detection using an additional constraint: the consistent appearance of similar true peaks across multiple spectra. We observe that false -positive peaks in general do not repeat ...
متن کاملHDP-Align: Hierarchical Dirichlet Process Clustering for Multiple Peak Alignment of Liquid Chromatography Mass Spectrometry Data
Matching peak features across multiple LC-MS runs (alignment) is an integral part of all LC-MS data processing pipelines. Alignment is challenging due to variations in the retention time of peak features across runs and the large number of peak features produced by a single compound in the analyte. In this paper, we propose a Bayesian non-parametric model that aligns peaks via a hierarchical cl...
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ژورنال
عنوان ژورنال: BMC Bioinformatics
سال: 2012
ISSN: 1471-2105
DOI: 10.1186/1471-2105-13-214