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CAMERA (version 1.28.0)

Collection of annotation related methods for mass spectrometry data

Description

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

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Version

Version

1.28.0

License

GPL (>= 2)

Maintainer

Steffen Neumann

Last Published

February 15th, 2017

Functions in CAMERA (1.28.0)

plotPsSpectrum-methods

Plot a Pseudospectrum
annotate-methods

Automatic deconvolution/annotation of LC/ESI-MS data
calcIsotopes-methods

Calculate isotope distance matrix from xsAnnotate object
calcCaS-methods

EIC correlation grouping of LC/ESI-MS data
findNeutralLossSpecs

Find pseudospectra that contains a specific neutral loss
groupFWHM

FWHM-Grouping of LC/ESI-MS data
findNeutralLoss

Find pseudospectra that contains a specific neutral loss
findIsotopes

Deconvolute/Annotate LC/ESI-MS data
psDist-methods

Distance methods for xsAnnotate
cleanParallel

Cleans up with spawned slave processes after use
getPeaklist

Generate the annotatad peaklist
xsAnnotate-class

Class xsAnnotate, a class for annotated peak data
findKendrickMasses

Find specfic mass defects using Kendrick mass scales
findAdducts-methods

Calculate Adducts and Annotate LC/ESI-MS Spectra
calcPC.hcs

Peakclustering into pseudospectra with the highly connected subgraphs approach
calcPC.lpc

Peakclustering into pseudospectra with the label-propagation-community algorithm
getIsotopeCluster

Retrieve the annotatad isotopes
xsAnnotate

xsAnnotate constructor for an provided xcmsSet object
ruleSet

Class ruleSet
getAllPeakEICs

Generate EIC information from raw data
annotateDiffreport

Automatic deconvolution/annotation of LC/ESI-MS data
calcCiS-methods

Calculate peak distance matrix after EIC correlation
plotEICs-methods

Plot extracted ion chromatograms from (multiple) Pseudospectra
mm14

Extract of marker mixture 14 LC/MS data
groupDen

Density-Grouping of LC/ESI-MS data
getpspectra

Retrieve a peaklist of one or more pseudospectra
combinexsAnnos

Check CAMERA ion species annotation due to matching with opposite ion mode
groupCorr

EIC correlation grouping of LC/ESI-MS data
calcPC-methods

Peakclustering into pseudospectra according to a distance matrix
pspec2metfrag

Export the putative fragments as MetFrag query files