################################################## ################### uxd2mtx ###################### ################################################## uxd2mtx <- function(uxdfile) { # Function for reading UXD files # Assumptions: data in two columns # Args: uxdfile (filename with extension) # Return value: matrix with two columns cchar <- "[;_]" #regexpr matching the comment characters used in Bruker's UXD cdata <- "[0-9]" #regexpr matching one character of any digit # A new file (datafile) containing only data will be created, # extension ".data" appended to uxdfile #datafile <- paste(uxdfile,".data",sep="") ufile <- file(uxdfile, "r") f <- readLines(ufile, n=-1) #read _all_ lines from UXD file close(ufile) # This way we identify data rows by looking for numeric characters. #wh <- regexpr("[0-9]", f) # This way we identify header rows # We assume that all other rows are data wh <- regexpr(cchar, f) mh <- wh[1:length(wh)] # this gives you the corresponding index vector # the value of each element corresponds to the position of the regexp match. # value = 1 means the first character of the row is cchar (row is header) # value =-1 means no cchar occur on the row (row is data) i <- seq(1, length(mh) - 1, 1) j <- seq(2, length(mh), 1) starts <- which(mh[i] == 1 & mh[j] != 1) + 1 ends <- length(mh) f <- f[starts:ends] zz <- textConnection(f, "r") ff <- matrix(scan(zz, what = numeric()), ncol=2, byrow=T) close(zz) #zz <- file(datafile, "w") #open connection to datafile #write.table(ff, file=datafile, row.names=F, sep=",") #close(zz) # Return matrix ff }