calcIsotopes

calcIsotopes,xsAnnotate-method

object


  Processing an xsAnnotate object with annotated isotopes (<a rd-options="" href="/link/findIsotopes?package=CAMERA&version=1.28.0" data-mini-rdoc="CAMERA::findIsotopes">findIsotopes</a>). 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 <code><a rd-options="" href="/link/calcPC?package=CAMERA&version=1.28.0" data-mini-rdoc="CAMERA::calcPC">calcPC</a></code>.


methods

calcIsotopes-methods

Annotation of peaklists generated by xcms, rule based annotation
of isotopes and adducts, EIC correlation based tagging of unknown
adducts and fragments

Steffen Neumann

CAMERA

Collection of annotation related methods for mass spectrometry data

calcIsotopes-methods function

<dl>
<dt>object = "xsAnnotate"</dt><dd>
  <code>
    calcIsotopes(object)
    </code>
</dd> </dl>

Methods

Processing an xsAnnotate object with annotated isotopes (<a href="findIsotopes" rd-options="">findIsotopes</a>). 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 <code><a href="calcPC" rd-options="">calcPC</a></code>.

Calculate isotope distance matrix from xsAnnotate object

pseudospectrum index, which contains x and y

calcIsotopes-methods: Calculate isotope distance matrix from xsAnnotate object

Description

Arguments

Value

Methods

See Also