\name{MAITbuilder} \alias{MAITbuilder} \title{MAIT constructor function when using external peak data} \description{ Function MAITbuilder creates a MAIT-class object for a given external data. This process allows the user to analyse external peak data through all the MAIT processing steps. } \usage{ MAITbuilder(data = NULL, spectraID = NULL, masses = NULL, rt = NULL, classes = NULL, significantFeatures = FALSE, spectraEstimation = FALSE, rtRange = 0.2, corThresh = 0.7) } \arguments{ \item{data}{ Matrix containing the peak intensity values for each sample. Each row should correspond to a peak and each column to a sample. } \item{spectraID}{ Numeric corresponding to the peak spectral grouping IDs.Two peaks having the same spectraID means that they correspond to the same spectrum. } \item{masses}{ Numeric that contains the masses of the peaks. It should be as long as the number of rows in the argument data. } \item{rt}{ Numeric that contains the retention time of the peaks. It should be as long as the number of rows in the argument data. } \item{classes}{ Character with the class labels for each sample. It should be as long as the number of columns in the argument data. } \item{significantFeatures}{ If it is set to TRUE, all the features set as an input are considered to be significant. Funcions \link{Biotransformations}, \link{identifyMetabolites}, \link{Validation}, \link{plotPCA}, \link{plotPLS}, \link{plotHeatmap}, \link{plotBoxplot} are computed on the significant features only. If it is only wanted to perform an annotation process on the external peak data, this flag should be set to TRUE. } \item{spectraEstimation}{ If it is set to TRUE, an estimation of the peak grouping into spectra is performed. This computation is based on a retention time window (set by the argument rtRange) and a correlation threshold (defined by the parameter corThresh). } \item{rtRange}{ Retention time parameter used to build a window to perform an estimation of the peak grouping into spectra. } \item{corThresh}{ Peak correlation value used to define a threshhol to perform an estimation of the peak grouping into spectra. } } \value{ All the imput values are stored in a new MAIT object. } \examples{ data(MAIT_sample) peaks<-scores(MAIT) aux<-getScoresTable(MAIT) masses<-aux$extendedTable$mz rt <- aux$extendedTable$rt classFactor <- rep(classes(MAIT),classNum(MAIT)) importMAIT <- MAITbuilder (data=peaks,masses=masses,rt=rt, significantFeatures=TRUE, spectraEstimation=TRUE, rtRange=0.2, corThresh=0.7,classes=classFactor) importMAIT } \author{Francesc Fernandez, \email{[email protected]}}