MetAlign: Interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing. Lommen, A. Anal Chem, 81(8):3079–3086, 2009.
doi  abstract   bibtex   
Hyphenated full-scan MS technology creates large amounts of data. A versatile easy to handle automation tool aiding in the data analysis is very important in handling such a data stream. MetAlign softwareas described in this manuscripthandles a broad range of accurate mass and nominal mass GC/MS and LC/MS data. It is capable of automatic format conversions, accurate mass calculations, baseline corrections, peak-picking, saturation and mass-peak artifact filtering, as well as alignment of up to 1000 data sets. A 100 to 1000-fold data reduction is achieved. MetAlign software output is compatible with most multivariate statistics programs.
@Article{lommen09metalign,
  author    = {Arjen Lommen},
  title     = {{MetAlign}: Interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing.},
  journal   = {Anal Chem},
  year      = {2009},
  volume    = {81},
  number    = {8},
  pages     = {3079--3086},
  abstract  = {Hyphenated full-scan MS technology creates large amounts of data. A versatile easy to handle automation tool aiding in the data analysis is very important in handling such a data stream. MetAlign softwareas described in this manuscripthandles a broad range of accurate mass and nominal mass GC/MS and LC/MS data. It is capable of automatic format conversions, accurate mass calculations, baseline corrections, peak-picking, saturation and mass-peak artifact filtering, as well as alignment of up to 1000 data sets. A 100 to 1000-fold data reduction is achieved. MetAlign software output is compatible with most multivariate statistics programs.},
  doi       = {10.1021/ac900036d},
  file      = {Lommen_MetAlign_AnalChem_2009.pdf:2009/Lommen_MetAlign_AnalChem_2009.pdf:PDF},
  keywords  = {MS; Mass Spectrometry; computational MS; signal processing; peak picking; metabolomics; metabolites, TrACReview},
  optmonth  = apr,
  owner     = {Sebastian},
  pmid      = {19301908},
  timestamp = {2010.11.26},
}

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