SpecComp.OrgMassSpecR: Compare Mass Spectra (basic wrapper for OrgMassSpecR...
In schymane/ReSOLUTION: SOLUTIONS for High ReSOLUTION Mass Spectrometry

Description Usage Arguments Value Author(s) See Also Examples

This uses the SpectrumSimilarity function of OrgMassSpecR to calculate a similarity value, output the table to a separate text file and a plot to the active device

1	SpecComp.OrgMassSpecR(spec1, spec2, output_file_name, t=0.005, b=0.1, header=FALSE)

`spec1`	File containing `mz` and `intensity` values of first (top) spectrum.
`spec2`	File containing `mz` and `intensity` values of second (bottom) spectrum.
`output_file_name`	File name for the output table. If empty no output is written.
`t`	Numeric value specifying the tolerance used to align the m/z values of the two spectra.
`b`	Numeric value specifying the baseline threshold for peak identification. Expressed as a percent of the maximum intensity.
`header`	Sets whether `spec1` and `spec2` contain header row (`TRUE` or not (`FALSE`).

Returns a similarity value, a file containing the comparison table and a plot in the active device.

Emma Schymanski <emma.schymanski@uni.lu>, Nathan Dodder (SpectrumSimilarity function).

SpectrumSimilarity.

spec1 <- system.file("extdata","EA000405_peaks.txt",package="ReSOLUTION")
spec2 <- system.file("extdata","EA000407_peaks.txt",package="ReSOLUTION")
sim <- SpecComp.OrgMassSpecR(spec1,spec2, header=F)
sim