diff --git a/DESCRIPTION b/DESCRIPTION index 9ce97ba..8eb75d3 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -26,4 +26,4 @@ Imports: RColorBrewer, data.table, igraph, enviGCMS -RoxygenNote: 7.2.3 +RoxygenNote: 7.3.1 diff --git a/NAMESPACE b/NAMESPACE index bf7437e..f7f1b85 100644 --- a/NAMESPACE +++ b/NAMESPACE @@ -8,6 +8,7 @@ export(getms2pmd) export(getmspmd) export(getpaired) export(getpmd) +export(getpmddf) export(getposneg) export(getrda) export(getreact) diff --git a/man/getpmddf.Rd b/man/getpmddf.Rd new file mode 100644 index 0000000..e840f55 --- /dev/null +++ b/man/getpmddf.Rd @@ -0,0 +1,32 @@ +% Generated by roxygen2: do not edit by hand +% Please edit documentation in R/sda.R +\name{getpmddf} +\alias{getpmddf} +\title{Get pmd details for specific reaction after the removal of isotopouge.} +\usage{ +getpmddf(mz, group = NULL, pmd = NULL, digits = 2, mdrange = c(0.25, 0.9)) +} +\arguments{ +\item{mz}{a vector of mass to charge ratio.} + +\item{group}{mass to charge ratio group from either retention time or mass spectrometry imaging segmentation.} + +\item{pmd}{a specific paired mass distance or a vector of pmds} + +\item{digits}{mass or mass to charge ratio accuracy for pmd, default 2.} + +\item{mdrange}{mass defect range to ignore. Default c(0.25,0.9) to retain the possible reaction related paired mass.} +} +\value{ +dataframe with paired peaks for specific pmd or pmds. When group is provided, a column named net will be generated to show if certain pmd will be local(within the same group) or global(across the groups) +} +\description{ +Get pmd details for specific reaction after the removal of isotopouge. +} +\examples{ +data(spmeinvivo) +pmddf <- getpmddf(spmeinvivo$mz,pmd=15.99) +} +\seealso{ +\code{\link{getpaired}},\code{\link{getstd}},\code{\link{getsda}},\code{\link{getrda}} +}