Description Usage Arguments Details Value See Also Examples
Takes all pairwise combinations of masses from either an MSI data set that
was imported with the function msimat
, or from a simple
numeric vector of masses.
1 | massdiff(d)
|
d |
Either an MSI data set of class msimat, imported with the function
|
The number of possible pairs grows combinatorially and the calculation will fail for >65536 values (the function uses a 16-bit integer internally).
Object of class massdiff
with three elements:
A - m/z values for peak pairs; for a given pair, A will be lower than B. Requries that the peak list in the input be sorted ascending numerically by mass.
B - m/z values for peak pairs
diff - their respective differences
hist.massdiff
to plot histogram of mass differences
adductMatch
to match mass differences to possible
molecular transformations
corrPairsMSI
to test whether given peak pairs are
correlated, using MSI intensity data from massdiff and msimat objects
1 2 3 | d <- msimat(csv=system.file("extdata","msi.csv",package="mass2adduct"),sep=";")
d.diff <- massdiff(d) # d is an msimat object
print(d.diff) # Show a summary of massdiff object
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