You cannot select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
94 lines
4.1 KiB
R
94 lines
4.1 KiB
R
source("/home/taha/chepec/chetex/common/R/common.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)
|
|
} |