diff --git a/Renishaw.R b/Renishaw.R index 555f545..a9af43b 100644 --- a/Renishaw.R +++ b/Renishaw.R @@ -36,12 +36,10 @@ Raman2df <- function(datafilename) { ff <- ff[order(ff$shift), ] # And fix the row.names row.names(ff) <- seq(1, dim(ff)[1]) - # Re-calculate the spectrum with evenly spaced points - # (so that the peak-finding algorithms of diffractometry package may be used) - ff$cshift <- approx(x = ff$shift, y = ff$counts, - method = "linear", n = length(ff$shift))$x - ff$ccounts <- approx(x = ff$shift, y = ff$counts, - method = "linear", n = length(ff$shift))$y + # Do not re-calculate the spectrum with evenly spaced points here! + # You must first remove cosmic peaks, and as long as that is done + # manually, re-calculation to evenly spaced shifts must also be + # done manually. ## return(ff) }