CRAN/E | pmd

pmd

Paired Mass Distance Analysis for GC/LC-MS Based Non-Targeted Analysis and Reactomics Analysis

Installation

About

Paired mass distance (PMD) analysis proposed in Yu, Olkowicz and Pawliszyn (2018) doi:10.1016/j.aca.2018.10.062 for gas/liquid chromatography–mass spectrometry (GC/LC-MS) based non-targeted analysis. PMD analysis including GlobalStd algorithm and structure/reaction directed analysis. GlobalStd algorithm could found independent peaks in m/z-retention time profiles based on retention time hierarchical cluster analysis and frequency analysis of paired mass distances within retention time groups. Structure directed analysis could be used to find potential relationship among those independent peaks in different retention time groups based on frequency of paired mass distances. Reactomics analysis could also be performed to build PMD network, assign sources and make biomarker reaction discovery. GUIs for PMD analysis is also included as 'shiny' applications.

Citation pmd citation info
yufree.github.io/pmd/
Bug report File report

Key Metrics

Version 0.2.1
R ≥ 3.5.0
Published 2021-01-21 1360 days ago
Needs compilation? no
License GPL-2
CRAN checks pmd results

Downloads

Yesterday 7 +17%
Last 7 days 40 -38%
Last 30 days 229 -31%
Last 90 days 849 +2%
Last 365 days 3.396 +14%

Maintainer

Maintainer

Miao YU

Authors

Miao YU

aut / cre

Material

README
NEWS
Reference manual
Package source

Vignettes

Paired Mass Distance(PMD) analysis for GC/LC-MS based non-targeted analysis
Reactomics

macOS

r-release

arm64

r-oldrel

arm64

r-release

x86_64

r-oldrel

x86_64

Windows

r-devel

x86_64

r-release

x86_64

r-oldrel

x86_64

Old Sources

pmd archive

Depends

R ≥ 3.5.0

Imports

RColorBrewer
stats
graphics
utils
data.table
igraph
enviGCMS

Suggests

knitr
shiny
rmarkdown
MSnbase