source("/home/taha/chepec/chetex/common/R/common/ProvideSampleId.R") ################################################## ################# chronocm2df #################### ################################################## chronocm2df <- function(datafilename) { # Function description: chronocoulometry data # CH Instruments potentiostat records all data using standard SI units, # so all potential values are in volts, currents are in amperes, # charges in Coulombs, time in seconds, etc. # datafile <- file(datafilename, "r") chifile <- readLines(datafile, n = -1) #read all lines of input file close(datafile) # sampleid <- ProvideSampleId(datafilename) # rgxp.number <- "^\\-?\\d\\.\\d+[e,]" # regexp that matches a decimal number at the beginning of the line. # Matches numbers with or without a negative sign (hyphen), # followed by one digit before the decimal, a decimal point, # and an arbitrary number of digits after the decimal point, # immediately followed by either the letter 'e' or a comma. # Note that backslashes are escaped. # numrow.idx <- regexpr(rgxp.number, chifile) # Save the match length attribute to another variable, numrow.len <- attr(numrow.idx, "match.length") # then scrap the attribute of the original variable. attr(numrow.idx, "match.length") <- NULL # i <- seq(1, length(numrow.idx) - 1, 1) j <- seq(2, length(numrow.idx), 1) # Start indices of data ranges starts <- which(numrow.idx[i] != 1 & numrow.idx[j] == 1) + 1 # End indices, except for the last ends <- which(numrow.idx[i] == 1 & numrow.idx[j] != 1) # Fix the last index of end indices ends <- c(ends, length(numrow.idx)) # ff <- data.frame(NULL) for (s in 1:length(starts)) { zz <- textConnection(chifile[starts[s]:ends[s]], "r") ff <- rbind(ff, data.frame(sampleid, step = factor(s), matrix(scan(zz, what = numeric(), sep = ","), ncol = 2, byrow = T))) close(zz) } names(ff) <- c("sampleid", "step", "time", "charge") # ### Collect attributes of this experiment # These attributes are specific for each kind of experiment, # be careful when adapting to other electrochemical data rgxp.attr <- c("^Init\\sE\\s\\(V\\)", "^Final\\sE\\s\\(V\\)", "^Step\\s", "^Pulse\\sWidth\\s\\(sec\\)", "^Sample\\sInterval\\s\\(s\\)", "^Quiet\\sTime\\s\\(sec\\)", "^Sensitivity\\s\\(A/V\\)") names.attr <- c("InitE", "FinalE", "Steps", "PulseWidth", "SamplingInterval", "QuietTime", "Sensitivity") for (n in 1:length(rgxp.attr)) { attrow.idx <- regexpr(rgxp.attr[n], chifile) attrow.len <- attr(attrow.idx, "match.length") attr(attrow.idx, "match.length") <- NULL attr(ff, names.attr[n]) <- strsplit(chifile[which(attrow.idx == 1)], "\\s=\\s")[[1]][2] } # return(ff) }