msPurity

Version: 1.5.0

Website

https://bioconductor.org/packages/devel/bioc/html/msPurity.html

Description

msPurity assess the purity of MS/MS precursors for both LC-MS/MS and DI-MS/MS data, describing the contribution of the selected precursor using the 'precursor purity' metric. The Michalski approach (intensity of selected precursor divided by total intensity of the isolation window) with the exception that the metric is interpolated at the time of the MS/MS scan, is used to calculate precursor purity. It can be interfaced with an xcmsSet object to filter out spectra that are below a user-specified threshold of purity. It can also perform background subtraction using peaks detected in blank samples.

Functionality

• Other Tools

Instrument Data Type

• MS/LC-MS/LC-MS/MS
• MS/DI-MS/DI-MS/MS

Approaches

Computer Skills

Advanced

Software Type

R Package

Interface

Command line interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

R

Dependencies

Rcpp

Input Formats - Open

.mzML, .csv

Input Formats - Proprietary

N/A

Published

2016

Last Updated

2018

License

GPL (>= 2)

Paper

PMID