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rawDiag: An R Package Supporting Rational LC-MS Method Optimization for Bottom-up Proteomics.
- Source :
-
Journal of proteome research [J Proteome Res] 2018 Aug 03; Vol. 17 (8), pp. 2908-2914. Date of Electronic Publication: 2018 Jul 24. - Publication Year :
- 2018
-
Abstract
- Optimizing methods for liquid chromatography coupled to mass spectrometry (LC-MS) is a nontrivial 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 an R package and can be executed on the R command line or through a graphical user interface (GUI) for less experienced users. The code runs platform-independent and can process 100 raw files in <3 min on current consumer hardware, as we show in our benchmark. As a demonstration of the functionality of our package we include a real-world example taken from our daily core facility business.
Details
- Language :
- English
- ISSN :
- 1535-3907
- Volume :
- 17
- Issue :
- 8
- Database :
- MEDLINE
- Journal :
- Journal of proteome research
- Publication Type :
- Academic Journal
- Accession number :
- 29978702
- Full Text :
- https://doi.org/10.1021/acs.jproteome.8b00173