Files in sneumann/Rdisop
Decomposition of Isotopic Patterns

.Rbuildignore

.github/.gitignore

.github/workflows/R-CMD-check.yaml

.github/workflows/pr-commands.yaml

.gitignore

.travis.yml

ChangeLog

DESCRIPTION

INSTALL

NAMESPACE

R/addMolecules.R R/data.R R/decomposeIsotopes.R R/getMolecule.R R/initializeElements.R R/utils.R README.Rmd README.md

Rdisop.Rproj

cleanup

cleanup.win

data-raw/isotopes.R data-raw/mono_masses.R

data/isotopes.rda

data/mono_masses.rda

inst/CITATION

inst/unitTests/Makefile

inst/unitTests/runit.addsub.R

inst/unitTests/runit.charges.R-disabled

inst/unitTests/runit.keggexamples.R inst/unitTests/runit.limits.R inst/unitTests/runit.minmaxElements.R inst/unitTests/runit.monoisotopic.R man/addMolecules.Rd man/decomposeIsotopes.Rd man/getMolecule.Rd man/initializeElements.Rd man/isotopes.Rd man/mono_masses.Rd

src/Makevars

src/disop.cpp

src/imslib/CMakeLists.txt

src/imslib/CODING

src/imslib/Doxyfile

src/imslib/Makefile

src/imslib/Makefile.am

src/imslib/Makefile.in

src/imslib/README

src/imslib/TODO

src/imslib/acinclude.m4

src/imslib/aclocal.m4

src/imslib/autogen.sh

src/imslib/cmake/FindCppUnit.cmake

src/imslib/config.h

src/imslib/config.h.cmake

src/imslib/config.h.in

src/imslib/config.log

src/imslib/config.status

src/imslib/config/config.guess

src/imslib/config/config.sub

src/imslib/config/depcomp

src/imslib/config/install-sh

src/imslib/config/ltmain.sh

src/imslib/config/missing

src/imslib/config/mkinstalldirs

src/imslib/configure

src/imslib/configure.ac

src/imslib/doc/imslib-doc.h

src/imslib/doc/imslib.css

src/imslib/examples/peaklist.cpp

src/imslib/examples/stopwatch.cpp

src/imslib/imslib.ebuild

src/imslib/install-gentoo

src/imslib/install-official

src/imslib/libims.pc

src/imslib/libims.pc.cmake

src/imslib/libims.pc.in

src/imslib/libtool

src/imslib/libtool64

src/imslib/math.h.cmake

src/imslib/res/amino-acid-average.masses-frequencies

src/imslib/res/amino-acid-mono.masses-frequencies

src/imslib/res/atom-average.masses

src/imslib/res/atom-mono.masses

src/imslib/res/dna-average.masses

src/imslib/res/dna-mono.masses

src/imslib/src/CMakeLists.txt

src/imslib/src/ims/alphabet.cpp

src/imslib/src/ims/alphabet.h

src/imslib/src/ims/base/exception/exception.h

src/imslib/src/ims/base/exception/invalidargumentexception.h

src/imslib/src/ims/base/exception/ioexception.h

src/imslib/src/ims/base/exception/unknowncharacterexception.h

src/imslib/src/ims/base/parser/abstractmoleculesequenceparser.h

src/imslib/src/ims/base/parser/alphabetparser.h

src/imslib/src/ims/base/parser/alphabettextparser.cpp

src/imslib/src/ims/base/parser/alphabettextparser.h

src/imslib/src/ims/base/parser/distributedalphabetparser.h

src/imslib/src/ims/base/parser/distributedalphabettextparser.cpp

src/imslib/src/ims/base/parser/distributedalphabettextparser.h

src/imslib/src/ims/base/parser/keggligandcompoundsparser.cpp

src/imslib/src/ims/base/parser/keggligandcompoundsparser.h

src/imslib/src/ims/base/parser/massesparser.h

src/imslib/src/ims/base/parser/massestextparser.cpp

src/imslib/src/ims/base/parser/massestextparser.h

src/imslib/src/ims/base/parser/moleculeionchargemodificationparser.cpp

src/imslib/src/ims/base/parser/moleculeionchargemodificationparser.h

src/imslib/src/ims/base/parser/moleculesequenceparser.cpp

src/imslib/src/ims/base/parser/moleculesequenceparser.h

src/imslib/src/ims/base/parser/standardmoleculesequenceparser.cpp

src/imslib/src/ims/base/parser/standardmoleculesequenceparser.h

src/imslib/src/ims/calib/calibrator.h

src/imslib/src/ims/calib/geometriccalibrator.h

src/imslib/src/ims/calib/linearpointsetmatcher.cpp

src/imslib/src/ims/calib/linearpointsetmatcher.h

src/imslib/src/ims/calib/linepairstabber.cpp

src/imslib/src/ims/calib/linepairstabber.h

src/imslib/src/ims/calib/linestabbingcalibrator.h

src/imslib/src/ims/calib/lmsregressioncalibrator.h

src/imslib/src/ims/calib/matchmatrix.cpp

src/imslib/src/ims/calib/matchmatrix.h

src/imslib/src/ims/calib/pointsetmatchercalibrator.h

src/imslib/src/ims/characteralphabet.cpp

src/imslib/src/ims/characteralphabet.h

src/imslib/src/ims/chebyshevfitter.h

src/imslib/src/ims/composedelement.cpp

src/imslib/src/ims/composedelement.h

src/imslib/src/ims/decomp/classicaldpmassdecomposer.h

src/imslib/src/ims/decomp/decomputils.h

src/imslib/src/ims/decomp/fastintegermassdecomposer.h

src/imslib/src/ims/decomp/integermassdecomposer.h

src/imslib/src/ims/decomp/massdecomposer.h

src/imslib/src/ims/decomp/realmassdecomposer.cpp

src/imslib/src/ims/decomp/realmassdecomposer.h

src/imslib/src/ims/decomp/residuetable.h

src/imslib/src/ims/decomp/twomassdecomposer.h

src/imslib/src/ims/decomp/twomassdecomposer2.h

src/imslib/src/ims/distributedalphabet.cpp

src/imslib/src/ims/distributedalphabet.h

src/imslib/src/ims/distributeddata.h

src/imslib/src/ims/distributionprobabilityscorer.cpp

src/imslib/src/ims/distributionprobabilityscorer.h

src/imslib/src/ims/element.cpp

src/imslib/src/ims/element.h

src/imslib/src/ims/elementsortcriteria.h

src/imslib/src/ims/fragmenter.h

src/imslib/src/ims/fragmentpeak.h

src/imslib/src/ims/functors/alphabetgetmass.h

src/imslib/src/ims/idsequence.h

src/imslib/src/ims/intensitypeak.h

src/imslib/src/ims/isotopedistribution.cpp

src/imslib/src/ims/isotopedistribution.h

src/imslib/src/ims/isotopespecies.cpp

src/imslib/src/ims/isotopespecies.h

src/imslib/src/ims/logger.h

src/imslib/src/ims/markovsequencegenerator.h

src/imslib/src/ims/massintensitypeak.h

src/imslib/src/ims/massintensitytofpeak.h

src/imslib/src/ims/masspeak.h

src/imslib/src/ims/masstofpeak.h

src/imslib/src/ims/modifier/intensitynormalizermodifier.h

src/imslib/src/ims/modifier/massrangemodifier.h

src/imslib/src/ims/modifier/modifier.h

src/imslib/src/ims/modifier/multimodifier.h

src/imslib/src/ims/modifier/noisemodifier.h

src/imslib/src/ims/modifier/shiftmodifier.h

src/imslib/src/ims/modifier/sortmodifier.h

src/imslib/src/ims/modifier/unificationmodifier.h

src/imslib/src/ims/modifier/voidmodifier.h

src/imslib/src/ims/nitrogenrulefilter.cpp

src/imslib/src/ims/nitrogenrulefilter.h

src/imslib/src/ims/peakcompare.h

src/imslib/src/ims/peakequalby.h

src/imslib/src/ims/peakequalto.h

src/imslib/src/ims/peaklist.h

src/imslib/src/ims/peakpropertyiterator.h

src/imslib/src/ims/pmffragmenter.h

src/imslib/src/ims/randomsequencegenerator.h

src/imslib/src/ims/sequencegenerator.h

src/imslib/src/ims/tandemfragmenter.h

src/imslib/src/ims/tclap/Arg.h

src/imslib/src/ims/tclap/ArgException.h

src/imslib/src/ims/tclap/CmdLine.h

src/imslib/src/ims/tclap/CmdLineInterface.h

src/imslib/src/ims/tclap/CmdLineOutput.h

src/imslib/src/ims/tclap/DocBookOutput.h

src/imslib/src/ims/tclap/HelpVisitor.h

src/imslib/src/ims/tclap/IgnoreRestVisitor.h

src/imslib/src/ims/tclap/MultiArg.h

src/imslib/src/ims/tclap/StdOutput.h

src/imslib/src/ims/tclap/SwitchArg.h

src/imslib/src/ims/tclap/UnlabeledMultiArg.h

src/imslib/src/ims/tclap/UnlabeledValueArg.h

src/imslib/src/ims/tclap/ValueArg.h

src/imslib/src/ims/tclap/VersionVisitor.h

src/imslib/src/ims/tclap/Visitor.h

src/imslib/src/ims/tclap/XorHandler.h

src/imslib/src/ims/tofpeak.h

src/imslib/src/ims/transformation.cpp

src/imslib/src/ims/transformation.h

src/imslib/src/ims/utils/compose_f_gx_hy_t.h

src/imslib/src/ims/utils/compose_f_gx_t.h

src/imslib/src/ims/utils/distribution.cpp

src/imslib/src/ims/utils/distribution.h

src/imslib/src/ims/utils/gcd.h

src/imslib/src/ims/utils/math.h

src/imslib/src/ims/utils/matrix.h

src/imslib/src/ims/utils/print.h

src/imslib/src/ims/utils/stopwatch.h

src/imslib/src/ims/weights.cpp

src/imslib/src/ims/weights.h

src/imslib/stamp-h1

src/imslib/tests/alphabettest.cpp

src/imslib/tests/base/parser/massestextparsertest.cpp

src/imslib/tests/base/parser/moleculesequenceparsertest.cpp

src/imslib/tests/calib/linearpointsetmatchertest.cpp

src/imslib/tests/calib/linepairstabbertest.cpp

src/imslib/tests/calib/matchmatrixtest.cpp

src/imslib/tests/chebyshevfittertest.cpp

src/imslib/tests/composedelementtest.cpp

src/imslib/tests/decomp/integermassdecomposertest.cpp

src/imslib/tests/decomp/realmassdecomposertest.cpp

src/imslib/tests/decomp/twomassdecomposer2test.cpp

src/imslib/tests/distributedalphabettest.cpp

src/imslib/tests/distributionprobabilityscorertest.cpp

src/imslib/tests/elementtest.cpp

src/imslib/tests/exceptiontest.cpp

src/imslib/tests/fragmentpeaktest.cpp

src/imslib/tests/identitytransformationtest.cpp

src/imslib/tests/intensitypeaktest.cpp

src/imslib/tests/isotopedistributiontest.cpp

src/imslib/tests/isotopespeciestest.cpp

src/imslib/tests/lineartransformationtest.cpp

src/imslib/tests/markovsequencegeneratortest.cpp

src/imslib/tests/massintensitypeaktest.cpp

src/imslib/tests/massintensitytofpeaktest.cpp

src/imslib/tests/masspeaktest.cpp

src/imslib/tests/masstofpeaktest.cpp

src/imslib/tests/modifier/intensitynormalizermodifiertest.cpp

src/imslib/tests/modifier/massrangemodifiertest.cpp

src/imslib/tests/modifier/multimodifiertest.cpp

src/imslib/tests/modifier/noisemodifiertest.cpp

src/imslib/tests/modifier/shiftmodifiertest.cpp

src/imslib/tests/modifier/sortmodifiertest.cpp

src/imslib/tests/modifier/unificationmodifiertest.cpp

src/imslib/tests/modifier/voidmodifiertest.cpp

src/imslib/tests/peaklisttest.cpp

src/imslib/tests/peakpropertyiteratortest.cpp

src/imslib/tests/pmffragmentertest.cpp

src/imslib/tests/polynomialtransformationtest.cpp

src/imslib/tests/randomsequencegeneratortest.cpp

src/imslib/tests/roundtest.cpp

src/imslib/tests/shifttransformationtest.cpp

src/imslib/tests/stopwatchtest.cpp

src/imslib/tests/tests.cpp

src/imslib/tests/tofpeaktest.cpp

src/imslib/tests/utils/log4cpp/log4cppappendertest.cpp

src/imslib/tests/utils/log4cpp/log4cppcategorytest.cpp

src/imslib/tests/weightstest.cpp

src/imslib/tools/CMakeLists.txt

src/imslib/tools/decompcommandline.h

src/imslib/tools/decompvalidation.cpp

src/imslib/tools/eispectraanalysis.cpp

src/imslib/tools/elementalcompositions.cpp

src/imslib/tools/histogram.cpp

src/imslib/tools/imsdecomp.cpp

src/imslib/tools/imsfrag.cpp

src/imslib/tools/imsintdecomp.cpp

src/imslib/tools/keggruntimes.cpp

src/imslib/tools/numberdecompositions.cpp

src/imslib/tools/options.cpp

src/imslib/tools/options.h

src/imslib/tools/peaklistvalidation.cpp

src/imslib/tools/scoredecompositions.cpp

tests/doRUnit.R tests/testthat.R tests/testthat/test-decomposeIsotopes.R tests/testthat/test-getMolecule.R vignettes/Rdisop.Rmd

vignettes/Rdisop.bib

sneumann/Rdisop documentation built on Dec. 14, 2024, 7:10 a.m.

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sneumann/Rdisop
Decomposition of Isotopic Patterns

Files in sneumann/Rdisop
Decomposition of Isotopic Patterns

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sneumann/Rdisop Decomposition of Isotopic Patterns

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sneumann/Rdisop
Decomposition of Isotopic Patterns

Files in sneumann/Rdisop
Decomposition of Isotopic Patterns