Calculate isotope distance matrix from xsAnnotate object

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Description

Processing an xsAnnotate object with annotated isotopes (findIsotopes). It return a weighted edge list as distance matrix between peaks according to the isotope annotation. The edge value for recognized isotopes is 1 for all cases. The list can be used as input for calcPC.

Arguments

object

xsAnnotate object

Value

A matrix with 4 columns:

x

peak index

y

peak index

cor

edge value, always 1

ps

pseudospectrum index, which contains x and y

Methods

object = "xsAnnotate"

calcIsotopes(object)

Author(s)

Carsten Kuhl, ckuhl@ipb-halle.de

See Also

calcPC xsAnnotate-class

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