rawDiag - an R package supporting rational LC-MS method optimization for bottom-up proteomics
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Date
2018
Publication Type
Working Paper
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yes
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Abstract
Optimizing 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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published
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Pages / Article No.
304485
Publisher
Cold Spring Harbor Laboratory
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Methods
Software
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Date collected
Date created
Subject
mass spectrometry; visualization
Organisational unit
02207 - Functional Genomics Center Zurich / Functional Genomics Center Zurich
08828 - Schlapbach, Ralph (Tit.-Prof.)
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