Package: Rnmr1D 1.6.0

Daniel Jacob

Rnmr1D: Perform the Complete Processing of a Set of Proton Nuclear Magnetic Resonance Spectra

Perform the complete processing of a set of proton nuclear magnetic resonance spectra from the free induction decay (raw data) and based on a processing sequence (macro-command file). An additional file specifies all the spectra to be considered by associating their sample code as well as the levels of experimental factors to which they belong. More detail can be found in Jacob et al. (2017) <doi:10.1007/s11306-017-1178-y>.

Authors:Daniel Jacob [cre, aut], Catherine Deborde [ctb], Marie Lefebvre [ctb]

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Rnmr1D.pdf |Rnmr1D.html
Rnmr1D/json (API)

# Install 'Rnmr1D' in R:
install.packages('Rnmr1D', repos = c('https://inra.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/inra/rnmr1d/issues

Uses libs:
  • c++– GNU Standard C++ Library v3

On CRAN:

Conda:

cpp

5.98 score 8 stars 264 downloads 2 mentions 52 exports 84 dependencies

Last updated 5 days agofrom:0fbe1338d7. Checks:1 OK, 11 WARNING. Indexed: yes.

TargetResultLatest binary
Doc / VignettesOKMar 26 2025
R-4.5-win-x86_64WARNINGMar 26 2025
R-4.5-mac-x86_64WARNINGMar 26 2025
R-4.5-mac-aarch64WARNINGMar 26 2025
R-4.5-linux-x86_64WARNINGMar 26 2025
R-4.4-win-x86_64WARNINGMar 26 2025
R-4.4-mac-x86_64WARNINGMar 26 2025
R-4.4-mac-aarch64WARNINGMar 26 2025
R-4.4-linux-x86_64WARNINGMar 26 2025
R-4.3-win-x86_64WARNINGMar 26 2025
R-4.3-mac-x86_64WARNINGMar 26 2025
R-4.3-mac-aarch64WARNINGMar 26 2025

Exports:calibSpectrumcheckMacroCmdFilecleanPeakscomputeBLdetectCoresdoProcCmddoProcessingestimateBLfilterByThresholdfilterByWTfilterSavGolgenerateMetadatagetBucketsDatasetgetBucketsTablegetClustersgetDeconvParamsgetMergedDatasetgetSlicesgetSnrDatasetgetSpectraDataggplotClustersggplotCriterionggplotLoadingsggplotPlotlyggplotScoresGSDeconvLorentzLSDeconvMultiLSDeconvoptimOneVoigtpeakFilteringpeakFinderpeakOptimizeplotClustersplotCriterionplotLoadingsplotModelplotScoresplotSpecplotSpecMatpos2ppmppm2posPVoigtreadSpectrumRWrapperCMD1DsetLogFilesetPPMboundssliceSpectrumSpec1rDoProcSpec1rProcparspecDeconvspecModel

Dependencies:askpassbase64encbslibcachemclicodetoolscolorspacecpp11crosstalkcurldata.tabledigestdoParalleldplyrevaluatefansifarverfastmapfontawesomeforeachfsgenericsggplot2gluegtablehighrhtmltoolshtmlwidgetshttrigraphimputeisobanditeratorsjquerylibjsonliteknitrlabelinglaterlatticelazyevallifecyclemagrittrMASSMassSpecWaveletMatrixmemoisemgcvmimeminqamunsellnlmeopensslpillarpkgconfigplotlyplyrpromisesptwpurrrR6rappdirsRColorBrewerRcppRcppArmadilloRcppDErlangrmarkdownsassscalessignalstringistringrsystibbletidyrtidyselecttinytexutf8vctrsviridisLitewithrxfunXMLyaml

Rnmr1D package

Rendered fromRnmr1D.Rmdusingknitr::rmarkdownon Mar 26 2025.

Last update: 2023-04-13
Started: 2018-07-25

Readme and manuals

Help Manual

Help pageTopics
calibSpectrumcalibSpectrum
checkMacroCmdFilecheckMacroCmdFile
cleanPeakscleanPeaks
computeBLcomputeBL
deconvParamsdeconvParams
detectCoresdetectCores
doProcCmddoProcCmd
doProcessingdoProcessing
estimateBLestimateBL
filterByThresholdfilterByThreshold
filterByWTfilterByWT
filterSavGolfilterSavGol
generateMetadatagenerateMetadata
getBucketsDatasetgetBucketsDataset
getBucketsTablegetBucketsTable
getClustersgetClusters
getDeconvParamsgetDeconvParams
getMergedDatasetgetMergedDataset
getSlicesgetSlices
getSnrDatasetgetSnrDataset
getSnrDatasetgetSpectraData
ggplotClustersggplotClusters
ggplotCriterionggplotCriterion
plotLoadingsggplotLoadings
ggplotPlotlyggplotPlotly
ggplotScoresggplotScores
GSDeconvGSDeconv
LorentzLorentz
LSDeconvLSDeconv
MultiLSDeconvMultiLSDeconv
optimOneVoigtoptimOneVoigt
peakFilteringpeakFiltering
peakFinderpeakFinder
peakOptimizepeakOptimize
plotClustersplotClusters
plotCriterionplotCriterion
plotLoadingsplotLoadings
plotModelplotModel
plotScoresplotScores
plotSpecplotSpec
plotSpecMat Overlaid/Stacked PlotplotSpecMat
pos2ppmpos2ppm
ppm2posppm2pos
PVoigtPVoigt
readSpectrumreadSpectrum
RWrapperCMD1DRWrapperCMD1D
setLogFilesetLogFile
setPPMboundssetPPMbounds
sliceSpectrumsliceSpectrum
Spec1rDoProcSpec1rDoProc
Spec1rProcparSpec1rProcpar
specDeconvspecDeconv
specModelspecModel