rawDiag: An R Package Supporting Rational LC-MS Method Optimization for Bottom-up Proteomics.
J Proteome Res
; 17(8): 2908-2914, 2018 08 03.
Article
em En
| MEDLINE
| ID: mdl-29978702
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.
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01-internacional
Base de dados:
MEDLINE
Assunto principal:
Software
/
Proteômica
Idioma:
En
Revista:
J Proteome Res
Assunto da revista:
BIOQUIMICA
Ano de publicação:
2018
Tipo de documento:
Article
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