Removed re-calc to evenly spaced shift from Raman2df().

The first test showed that such an approach would not work
(see comment in Raman2df()).

Renishaw.R

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