G'day,

>> Suppose you have an aligned peak-list and have (manually) identified a
>> set of peak-list rows that are part of the same spectrum.  There's no
>> guarantee (in fact it's quite likely?) the peak-list rows will all
>> return identical values for
>> PeakListRow.getBestPeak().getRepresentativeScan().
>
> That is true, but why do you need them to return same scan?

Sorry, what I'm trying to imply is that if an aligned peak-list has a
set of rows that should clearly be grouped together to form a spectrum
(to pass to NIST MS Search) then there's no guarantee that the values of
PeakListRow.getBestPeak().getRepresentativeScan() for each of the rows
will be identical.

Therefore, PeakListRow.getBestPeak().getRepresentativeScan() is not a
reliable way of forming (search) spectra.

Thanks,
Chris.


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