rawDiag - an R package supporting rational LC-MS method optimization for bottom-up proteomics
Keyword(s):
AbstractOptimizing methods for liquid chromatography coupled to mass spectrometry (LC-MS) is a non-trivial task. Here we present rawDiag, a software tool supporting rational method optimization by providing MS operator-tailored diagnostic plots of scan level metadata. rawDiag is implemented as R package and can be executed on the command line, or through a graphical user interface (GUI) for less experienced users. The code runs platform independent and can process a hundred raw files in less than three minutes on current consumer hardware as we show by our benchmark. In order to demonstrate the functionality of our package, we included a real-world example taken from our daily core facility business.
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2012 ◽
Vol 29
(1)
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pp. 109-113
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2015 ◽
Vol 2015
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pp. 1-12