source("/home/taha/chepec/chetex/common/R/common/ProvideSampleId.R") ################################################## #################### cv2df ####################### ################################################## cv2df <- function(datafilename, wearea = 1) { # Function description: # 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. # cvfile <- file(datafilename, "r") chifile <- readLines(cvfile, n = -1) #read all lines of input file close(cvfile) # sampleid <- ProvideSampleId(datafilename) # rgxp.number <- "^\\-?\\d\\.\\d+," # 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 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, cycle = as.integer(ceiling(s/2)), segment = s, matrix(scan(zz, what = numeric(), sep = ","), ncol = 3, byrow = T))) close(zz) } # Column names after initial assignment names(ff) <- c("sampleid", "cycle", "segment", "potential", "current", "charge") # Calculate current density currentdensity <- ff$current / wearea ff <- cbind(ff[, 1:5], currentdensity = currentdensity, charge = ff[, 6]) ## Collect attributes of this experiment # InitE (volt) position.InitE <- regexpr("^Init\\sE\\s\\(V\\)", chifile) InitE <- as.numeric(strsplit(chifile[which(position.InitE == 1)], "\\s=\\s")[[1]][2]) ff$InitE <- InitE # HighE (volt) position.HighE <- regexpr("^High\\sE\\s\\(V\\)", chifile) HighE <- as.numeric(strsplit(chifile[which(position.HighE == 1)], "\\s=\\s")[[1]][2]) ff$HighE <- HighE # LowE (volt) position.LowE <- regexpr("^Low\\sE\\s\\(V\\)", chifile) LowE <- as.numeric(strsplit(chifile[which(position.LowE == 1)], "\\s=\\s")[[1]][2]) ff$LowE <- LowE # InitPN (positive or negative) position.InitPN <- regexpr("^Init\\sP/N", chifile) InitPN <- strsplit(chifile[which(position.InitPN == 1)], "\\s=\\s")[[1]][2] ff$InitPN <- InitPN # ScanRate (volt per second) position.ScanRate <- regexpr("^Scan\\sRate\\s\\(V/s\\)", chifile) ScanRate <- as.numeric(strsplit(chifile[which(position.ScanRate == 1)], "\\s=\\s")[[1]][2]) ff$ScanRate <- ScanRate # Segments, number of position.Segments <- regexpr("^Segment\\s=", chifile) Segments <- as.numeric(strsplit(chifile[which(position.Segments == 1)], "\\s=\\s")[[1]][2]) ff$Segments <- Segments # SampleInterval (volt) position.SampleInterval <- regexpr("^Sample\\sInterval\\s\\(V\\)", chifile) SampleInterval <- as.numeric(strsplit(chifile[which(position.SampleInterval == 1)], "\\s=\\s")[[1]][2]) ff$SampleInterval <- SampleInterval # Quiet time (seconds) position.QuietTime <- regexpr("^Quiet\\sTime\\s\\(sec\\)", chifile) QuietTime <- as.numeric(strsplit(chifile[which(position.QuietTime == 1)], "\\s=\\s")[[1]][2]) ff$QuietTime <- QuietTime # Sensitivity (ampere per volt) position.Sensitivity <- regexpr("^Sensitivity\\s\\(A/V\\)", chifile) Sensitivity <- as.numeric(strsplit(chifile[which(position.Sensitivity == 1)], "\\s=\\s")[[1]][2]) ff$Sensitivity <- Sensitivity # return(ff) }