├── .gitattributes ├── .gitignore ├── OrgMassSpecR ├── DESCRIPTION ├── LICENSE ├── NAMESPACE ├── R │ ├── ConvertConcentration.R │ ├── ConvertPeptide.R │ ├── DeadVolume.R │ ├── Digest.R │ ├── DrawChromatogram.R │ ├── ExchangeableAmides.R │ ├── FlowTime.R │ ├── FragmentPeptide.R │ ├── IsotopicDistribution.R │ ├── IsotopicDistributionHDX.R │ ├── IsotopicDistributionN.R │ ├── ListFormula.R │ ├── MolecularWeight.R │ ├── MonoisotopicMass.R │ ├── PeptideSpectrum.R │ ├── ReadMspDirectory.R │ ├── ReadMspFile.R │ ├── RetentionIndex.R │ ├── SpectrumSimilarity.R │ └── WriteMspFile.R ├── data │ ├── example.chromatogram.multiple.txt │ ├── example.chromatogram.single.txt │ ├── example.sequence.R │ ├── example.spectrum.authentic.txt │ ├── example.spectrum.labeled.txt │ ├── example.spectrum.peptide.txt │ └── example.spectrum.unknown.txt ├── inst │ └── NEWS.Rd ├── man │ ├── ConvertConcentration.Rd │ ├── ConvertPeptide.Rd │ ├── DeadVolume.Rd │ ├── Digest.Rd │ ├── DrawChromatogram.Rd │ ├── ExchangeableAmides.Rd │ ├── FlowTime.Rd │ ├── FragmentPeptide.Rd │ ├── IsotopicDistribution.Rd │ ├── IsotopicDistributionHDX.Rd │ ├── IsotopicDistributionN.Rd │ ├── ListFormula.Rd │ ├── MolecularWeight.Rd │ ├── MonoisotopicMass.Rd │ ├── OrgMassSpecR-package.Rd │ ├── PeptideSpectrum.Rd │ ├── ReadMspDirectory.Rd │ ├── ReadMspFile.Rd │ ├── RetentionIndex.Rd │ ├── SpectrumSimilarity.Rd │ ├── WriteMspFile.Rd │ ├── example.chromatogram.single.Rd │ ├── example.sequence.Rd │ ├── example.spectrum.labeled.Rd │ ├── example.spectrum.peptide.Rd │ └── example.spectrum.unknown.Rd └── vignettes │ └── OrgMassSpecR-examples.Rmd ├── OrgMassSpecR_0.5-3.tar.gz └── README.md /.gitattributes: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OrgMassSpec/OrgMassSpecR/HEAD/.gitattributes -------------------------------------------------------------------------------- /.gitignore: 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