PQNScaling {mrbin} | R Documentation |
A function for PQN scaling.
Description
This function performs PQN scaling. To further exclude unreliable noise, only the most intense signals are used. For 1H and 1H-13C HSQC spectra, most of the sugar regions can be excluded to avoid a dominating effect of the multiple glucose signals.
Usage
PQNScaling(
NMRdata,
ignoreGlucose = "Yes",
dimension = "1D",
ppmNames = "borders",
sugarArea = c(5.4, 3.35, 72, 100),
minimumFeatures = 40,
showHist = FALSE,
verbose = TRUE,
errorsAsWarnings = FALSE
)
Arguments
NMRdata |
A matrix containing NMR data or an mrbin object. Columns=frequencies,rows=samples |
ignoreGlucose |
A character value ("Yes" or "No") |
dimension |
A character value ("1D" or "2D") |
ppmNames |
A character value ("borders" or "mean") |
sugarArea |
A numeric vector defining the the borders of glucose area |
minimumFeatures |
A numeric value defining minimum feature number used |
showHist |
A logical value, default is FALSE |
verbose |
Should a summary be printed? |
errorsAsWarnings |
If TRUE, errors will be turned into warnings. Should be used with care, as errors indicate undocumented changes to the data. |
Value
An invisible matrix or mrbin object containing scaled NMR data.
Examples
resetEnv()#clean up previous data from the package environment
results<-mrbin(silent=TRUE,setDefault=TRUE,parameters=list(dimension="1D",
binwidth1D=0.05,PQNScaling="No",PCA="No",logTrafo="No",
NMRvendor="mrbin",
example=TRUE,#only used for the package examples
NMRfolders=c(system.file("extdata/1.mr1",package="mrbin"),
system.file("extdata/2.mr1",package="mrbin"),
system.file("extdata/3.mr1",package="mrbin"))))
results<-PQNScaling(results)