% Generated by roxygen2: do not edit by hand % Please edit documentation in R/dp.R \name{dynRT} \alias{dynRT} \title{dynRT} \usage{ dynRT(S) } \arguments{ \item{S}{similarity matrix} } \value{ list containing the matched peaks between the two chromatograms. The number represent position of the spectra in the S matrix } \description{ Dynamic Retention Time Based Alignment algorithm, given a similarity matrix } \details{ This function align two chromatograms finding the maximum similarity among the mass spectra } \examples{ require(gcspikelite) files <- list.files(path = paste(find.package("gcspikelite"), "data", sep = "/"),"CDF", full = TRUE) data <- peaksDataset(files[1:2], mz = seq(50, 550), rtrange = c(7.5, 8.5)) ## create settings object mfp <- xcms::MatchedFilterParam(fwhm = 10, snthresh = 5) cwt <- xcms::CentWaveParam(snthresh = 3, ppm = 3000, peakwidth = c(3, 40), prefilter = c(3, 100), fitgauss = FALSE, integrate = 2, noise = 0, extendLengthMSW = TRUE, mzCenterFun = "wMean") data <- addXCMSPeaks(files[1:2], data, settings = mfp, minintens = 100, multipleMatchedFilter = FALSE, multipleMatchedFilterParam = list(fwhm = c(5, 10, 20), rt_abs = 3, mz_abs = 0.1)) data ## review peak picking plotChrom(data, rtrange=c(7.5, 10.5), runs=c(1:2)) ## similarity r <- ndpRT(data@peaksdata[[1]], data@peaksdata[[2]], data@peaksrt[[1]], data@peaksrt[[2]], D = 50) ## dynamic retention time based alignment algorithm v <- dynRT(S = r) } \author{ [email protected] }