Abstract
Peak extraction from raw data is the first step in LC-MS data analysis. The quality of this procedure is important since it affects the quality and accuracy of all subsequent analysis such as database searches and peak quantitation. The most important and most accurately measured physical entity provided by mass spectrometers is m/z values which need to be extracted by state of art algorithms and scrutinized thoroughly. The aim of this chapter is to provide a discussion of peak processing methods and furthermore discuss some of the yet unresolved or neglected issues. A few novel concepts are also proposed for analysis and visualization. The final section of this chapter provides a note on possible software for spectra processing.
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Acknowledgments
R.M. is supported by Fundação para a Ciência e a Tecnologia (FCT), program CIENCIA 2007. IPATIMUP is an Associate Laboratory of the Portuguese Ministry of Science, Technology and Higher Education and is partially supported by FCT. R.M. is further supported by FCT grants (PTDC/QUI-BIQ/099457/2008 and PTDC/EIA-EIA/099458/2008).
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Matthiesen, R. (2013). LC-MS Spectra Processing. In: Matthiesen, R. (eds) Mass Spectrometry Data Analysis in Proteomics. Methods in Molecular Biology, vol 1007. Humana Press, Totowa, NJ. https://doi.org/10.1007/978-1-62703-392-3_2
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DOI: https://doi.org/10.1007/978-1-62703-392-3_2
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