Back to Search Start Over

rawDiag: An R Package Supporting Rational LC-MS Method Optimization for Bottom-up Proteomics.

Authors :
Trachsel C
Panse C
Kockmann T
Wolski WE
Grossmann J
Schlapbach R
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