CAMERA: Collection of annotation related methods for mass spectrometry data

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

Author
Carsten Kuhl, Ralf Tautenhahn, Hendrik Treutler, Steffen Neumann {ckuhl|htreutle|sneumann}@ipb-halle.de, rtautenh@scripps.edu
Date of publication
None
Maintainer
Steffen Neumann <sneumann@ipb-halle.de>
License
GPL (>= 2)
Version
1.30.0
URLs

View on Bioconductor

Man pages

annotateDiffreport
Automatic deconvolution/annotation of LC/ESI-MS data
annotate-methods
Automatic deconvolution/annotation of LC/ESI-MS data
calcCaS-methods
EIC correlation grouping of LC/ESI-MS data
calcCiS-methods
Calculate peak distance matrix after EIC correlation
calcIsotopes-methods
Calculate isotope distance matrix from xsAnnotate object
calcPC.hcs-methods
Peakclustering into pseudospectra with the highly connected...
calcPC.lpc-methods
Peakclustering into pseudospectra with the...
calcPC-methods
Peakclustering into pseudospectra according to a distance...
cleanParallel
Cleans up with spawned slave processes after use
combinexsAnnos
Check CAMERA ion species annotation due to matching with...
compoundLibraries
The supported compound databases
compoundQuantiles
compoundQuantiles constructor
compoundQuantiles-class
Class compoundQuantiles encapsulates compound statistics from...
findAdducts-methods
Calculate Adducts and Annotate LC/ESI-MS Spectra
findIsotopes-methods
Deconvolute/Annotate LC/ESI-MS data
findIsotopesWithValidation-methods
Deconvolute/Annotate LC/ESI-MS data
findKendrickMasses
Find specfic mass defects using Kendrick mass scales
findNeutralLoss
Find pseudospectra that contains a specific neutral loss
findNeutralLossSpecs
Find pseudospectra that contains a specific neutral loss
getAllPeakEICs-methods
Generate EIC information from raw data
getAtomCount-compoundQuantiles-method
The number of atoms of the given element
getIsotopeCluster
Retrieve the annotatad isotopes
getIsotopeProportion-compoundQuantiles-method
The proportion of the intensities of two isotope peaks
getPeaklist-methods
Generate the annotatad peaklist
getpspectra
Retrieve a peaklist of one or more pseudospectra
groupCorr-methods
EIC correlation grouping of LC/ESI-MS data
groupDen-methods
Density-Grouping of LC/ESI-MS data
groupFWHM-methods
FWHM-Grouping of LC/ESI-MS data
massWindowSizes
The supported mass window sizes
mm14
Extract of marker mixture 14 LC/MS data
plotEIC.xsAnnotate
Plot extracted ion chromatograms from (multiple)...
plotPsSpectrum.xsAnnotate
Plot a Pseudospectrum
psDist-methods
Distance methods for xsAnnotate
pspec2metfrag
Export the putative fragments as MetFrag query files
ruleSet-class
Class 'ruleSet'
xsAnnotate
xsAnnotate constructor for an provided xcmsSet object
xsAnnotate-class
Class xsAnnotate, a class for annotated peak data

Files in this package

CAMERA/.travis.yml
CAMERA/DESCRIPTION
CAMERA/NAMESPACE
CAMERA/R
CAMERA/R/00xsAnnotate.R
CAMERA/R/compoundQuantiles.R
CAMERA/R/fastMatch.R
CAMERA/R/fct_findAdducts.R
CAMERA/R/fct_findIsotopes.R
CAMERA/R/fct_findIsotopesWithValidation.R
CAMERA/R/fct_groupCorr.R
CAMERA/R/init.R
CAMERA/R/psDist.R
CAMERA/R/pspec2metfrag.R
CAMERA/R/ruleSet.R
CAMERA/R/unix
CAMERA/R/windows
CAMERA/R/xsAnnotate.R
CAMERA/R/xsVisualise.R
CAMERA/R/zzz.R
CAMERA/README.md
CAMERA/build
CAMERA/build/vignette.rds
CAMERA/data
CAMERA/data/mm14.rda
CAMERA/inst
CAMERA/inst/CITATION
CAMERA/inst/NEWS
CAMERA/inst/ONEWS
CAMERA/inst/doc
CAMERA/inst/doc/CAMERA.R
CAMERA/inst/doc/CAMERA.Rnw
CAMERA/inst/doc/CAMERA.pdf
CAMERA/inst/doc/IsotopeDetectionVignette.Rnw
CAMERA/inst/doc/IsotopeDetectionVignette.pdf
CAMERA/inst/doc/compoundQuantilesVignette.Rnw
CAMERA/inst/doc/compoundQuantilesVignette.pdf
CAMERA/inst/lists
CAMERA/inst/lists/ions.csv
CAMERA/inst/lists/neutraladdition.csv
CAMERA/inst/lists/neutralloss.csv
CAMERA/inst/mzdata
CAMERA/inst/mzdata/MM14.mzdata
CAMERA/inst/quantiles
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/Br_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/C_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/Cl_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/F_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/H_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/I_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/IsotopeQuantiles__iso_1.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/IsotopeQuantiles__iso_2.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/IsotopeQuantiles__iso_3.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/IsotopeQuantiles__iso_4.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/IsotopeQuantiles__iso_5.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/N_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/O_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/P_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/S_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/Si_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_10/Unknown_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/Br_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/C_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/Cl_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/F_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/H_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/I_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/IsotopeQuantiles__iso_1.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/IsotopeQuantiles__iso_2.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/IsotopeQuantiles__iso_3.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/IsotopeQuantiles__iso_4.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/IsotopeQuantiles__iso_5.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/N_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/O_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/P_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/S_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/Si_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_100/Unknown_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/Br_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/C_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/Cl_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/F_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/H_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/I_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/IsotopeQuantiles__iso_1.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/IsotopeQuantiles__iso_2.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/IsotopeQuantiles__iso_3.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/IsotopeQuantiles__iso_4.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/IsotopeQuantiles__iso_5.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/N_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/O_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/P_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/S_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/Si_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_25/Unknown_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/Br_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/C_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/Cl_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/F_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/H_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/I_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/IsotopeQuantiles__iso_1.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/IsotopeQuantiles__iso_2.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/IsotopeQuantiles__iso_3.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/IsotopeQuantiles__iso_4.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/IsotopeQuantiles__iso_5.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/N_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/O_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/P_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/S_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/Si_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_250/Unknown_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/Br_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/C_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/Cl_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/F_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/H_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/I_quantiles.tsv
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CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/IsotopeQuantiles__iso_5.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/N_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/O_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/P_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/S_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/Si_quantiles.tsv
CAMERA/inst/quantiles/lib_LipidMaps__maxDa_500/windowSize_50/Unknown_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/Br_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/C_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/Cl_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/F_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/H_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/I_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/IsotopeQuantiles__iso_1.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/IsotopeQuantiles__iso_2.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/IsotopeQuantiles__iso_3.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/IsotopeQuantiles__iso_4.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/IsotopeQuantiles__iso_5.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/N_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/O_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/P_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/S_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/Si_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_10/Unknown_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/Br_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/C_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/Cl_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/F_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/H_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/I_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/IsotopeQuantiles__iso_1.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/IsotopeQuantiles__iso_2.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/IsotopeQuantiles__iso_3.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/IsotopeQuantiles__iso_4.tsv
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CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/N_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/O_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/P_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/S_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_100/Si_quantiles.tsv
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CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_25/Cl_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_25/F_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_25/H_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_25/I_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_25/IsotopeQuantiles__iso_1.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_25/IsotopeQuantiles__iso_2.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_25/IsotopeQuantiles__iso_3.tsv
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CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_250/H_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_250/I_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_250/IsotopeQuantiles__iso_1.tsv
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CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_250/Si_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_250/Unknown_quantiles.tsv
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CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_50/C_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_50/Cl_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_50/F_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_50/H_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_50/I_quantiles.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_50/IsotopeQuantiles__iso_1.tsv
CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_50/IsotopeQuantiles__iso_2.tsv
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CAMERA/inst/quantiles/lib_chebi__maxDa_1000/windowSize_50/Si_quantiles.tsv
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CAMERA/inst/quantiles/lib_kegg__maxDa_1000/windowSize_10/Cl_quantiles.tsv
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CAMERA/inst/quantiles/lib_kegg__maxDa_1000/windowSize_10/H_quantiles.tsv
CAMERA/inst/quantiles/lib_kegg__maxDa_1000/windowSize_10/I_quantiles.tsv
CAMERA/inst/quantiles/lib_kegg__maxDa_1000/windowSize_10/IsotopeQuantiles__iso_1.tsv
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CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_250/IsotopeQuantiles__iso_3.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_250/IsotopeQuantiles__iso_4.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_250/IsotopeQuantiles__iso_5.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_250/N_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_250/O_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_250/P_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_250/S_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_250/Si_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_250/Unknown_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/Br_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/C_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/Cl_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/F_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/H_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/I_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/IsotopeQuantiles__iso_1.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/IsotopeQuantiles__iso_2.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/IsotopeQuantiles__iso_3.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/IsotopeQuantiles__iso_4.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/IsotopeQuantiles__iso_5.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/N_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/O_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/P_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/S_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/Si_quantiles.tsv
CAMERA/inst/quantiles/lib_pubchem__maxDa_3000/windowSize_50/Unknown_quantiles.tsv
CAMERA/inst/rules
CAMERA/inst/rules/extended_adducts_neg.csv
CAMERA/inst/rules/extended_adducts_pos.csv
CAMERA/inst/rules/primary_adducts_neg.csv
CAMERA/inst/rules/primary_adducts_pos.csv
CAMERA/inst/unitTests
CAMERA/inst/unitTests/Makefile
CAMERA/inst/unitTests/test_annotateDiffreport.R
CAMERA/inst/unitTests/test_compoundQuantiles.R
CAMERA/inst/unitTests/test_findAdductsMPI.R
CAMERA/inst/unitTests/test_generateRules.R
CAMERA/inst/unitTests/test_groupCorr.R
CAMERA/inst/unitTests/test_groupFWHM.R
CAMERA/inst/unitTests/test_kendrick.R
CAMERA/inst/unitTests/test_psDist.R
CAMERA/inst/unitTests/test_pspec2metfrag.R
CAMERA/man
CAMERA/man/annotate-methods.Rd
CAMERA/man/annotateDiffreport.Rd
CAMERA/man/calcCaS-methods.Rd
CAMERA/man/calcCiS-methods.Rd
CAMERA/man/calcIsotopes-methods.Rd
CAMERA/man/calcPC-methods.Rd
CAMERA/man/calcPC.hcs-methods.Rd
CAMERA/man/calcPC.lpc-methods.Rd
CAMERA/man/cleanParallel.Rd
CAMERA/man/combinexsAnnos.Rd
CAMERA/man/compoundLibraries.Rd
CAMERA/man/compoundQuantiles-class.Rd
CAMERA/man/compoundQuantiles.Rd
CAMERA/man/findAdducts-methods.Rd
CAMERA/man/findIsotopes-methods.Rd
CAMERA/man/findIsotopesWithValidation-methods.Rd
CAMERA/man/findKendrickMasses.Rd
CAMERA/man/findNeutralLoss.Rd
CAMERA/man/findNeutralLossSpecs.Rd
CAMERA/man/getAllPeakEICs-methods.Rd
CAMERA/man/getAtomCount-compoundQuantiles-method.Rd
CAMERA/man/getIsotopeCluster.Rd
CAMERA/man/getIsotopeProportion-compoundQuantiles-method.Rd
CAMERA/man/getPeaklist-methods.Rd
CAMERA/man/getpspectra.Rd
CAMERA/man/groupCorr-methods.Rd
CAMERA/man/groupDen-methods.Rd
CAMERA/man/groupFWHM-methods.Rd
CAMERA/man/massWindowSizes.Rd
CAMERA/man/mm14.Rd
CAMERA/man/plotEIC.xsAnnotate.Rd
CAMERA/man/plotPsSpectrum.xsAnnotate.Rd
CAMERA/man/psDist-methods.Rd
CAMERA/man/pspec2metfrag.Rd
CAMERA/man/ruleSet-class.Rd
CAMERA/man/xsAnnotate-class.Rd
CAMERA/man/xsAnnotate.Rd
CAMERA/src
CAMERA/src/fastMatch.c
CAMERA/tests
CAMERA/tests/runTests.R
CAMERA/vignettes
CAMERA/vignettes/CAMERA.Rnw
CAMERA/vignettes/IsotopeDetectionVignette.Rnw
CAMERA/vignettes/compoundQuantilesVignette.Rnw