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