diff --git a/MFAssignR/man/RecalX.Rd b/MFAssignR/man/RecalX.Rd deleted file mode 100644 index f00555c..0000000 --- a/MFAssignR/man/RecalX.Rd +++ /dev/null @@ -1,72 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/RecalFunctionsX.R -\name{RecalX} -\alias{RecalX} -\title{Generates a plot to visualize recalibrant series, recalibrates two mass lists, -and produces a list of the chosen recalibrants.} -\usage{ -RecalX(df, peaks, isopeaks = "none", mode, SN = 0, mzRange = 50, - series1 = NA, series2 = NA, series3 = NA, series4 = NA, - series5 = NA, series6 = NA, series7 = NA, series8 = NA, - series9 = NA, series10 = NA, min = 100, max = 1000, bin = 14, - obs = 1, num = 5) -} -\arguments{ -\item{df}{data frame output from MFAssign() or MFAssignCHO()} - -\item{peaks}{data frame with two columns for recalibration, generally contains "Mono" output from IsoFiltR()} - -\item{isopeaks}{data frame with two columns, generally containing the "Iso" output from IsoFiltR()} - -\item{mode}{character "neg" or "pos" depending on the ionization mode of the data} - -\item{SN}{numeric value of the signal-to-noise cut point for making the plot, default is 0} - -\item{mzRange}{numeric value defining the mass windows used for the segmented recalibration, default is 50} - -\item{min}{numeric - minimum mass range of the data being analyzed.} - -\item{max}{numeric - maximum mass range of the data being analyzed.} - -\item{bin}{numeric - sets the mass window bins to choose recalibrants from, default is 14.} - -\item{obs}{numeric - sets the number of peaks to choose as recalibrants from each bin. -Default is 1} - -\item{num}{numeric - sets the number of peaks on either side of defined recalibrant to choose -as additional recalibrants. Default is 5.} - -\item{series(1-10)}{character the recalibrant series, "O7_Na_4" for example, default is NA} -} -\value{ -list(MZ, Mono, Iso, RecalOut) contains the mass spectrum (MZ), recalibrated "Mono" data frame, - recalibrated "Iso" data frame, and the recalibrants list (RecalOut) -} -\description{ -Recal() takes the data frame output from MFAssign functions, the outputs of -IsoFiltR(), and the chosen recalibrant series to generate a plot for the qualitative -assessment of the recalibrants, recalibrate the "Mono" and "Iso" outputs from IsoFiltR, -and prepare a data frame containing the chosen recalibrants. -} -\details{ -This function can handle up to 10 homologous series, though it will work with fewer. -It is important for recalibrant masses to cover the entire mass range of interest, -and they should be among the most abundant peaks in their region of the spectrum, -this function helps with visualizing the recalibrants. - -This function also recalibrates up to two mass lists using the chosen recalibrants. -It is best to use the "Mono" and "Iso" outputs of the IsoFiltR() function. - -This recalibration method uses the first step from the paper from Kozhinov et al. -2014 (Anal. Chem.) to estimate the correction term, and uses the idea of a segmented -or "walking" recalibration from Savory et al. 2011 (Anal. Chem) to further improve -the recalibration. - -These parameters will be used to identify more potential recalibrants, and the -tallest peaks within a user defined mass range will be used as recalibrants. -} -\examples{ -RecalX(df = Data, peaks = Mono, isopeaks = Iso, mode = "neg", SN = 500, series1 = "O4_H_2", series2 = "O4_H_8", series3 = "O6_H_8") - -RecalX(df = Data, peaks = Mono, isopeaks = Iso, mode = "pos", SN = 300, series1 = "O4_Na_2", series2 = "O4_H_8", series3 = "O6_Na_8") -}