Package: OrgMassSpecR 0.5-3

Nathan Dodder

OrgMassSpecR: Organic Mass Spectrometry

Organic/biological mass spectrometry data analysis.

Authors:Nathan Dodder [cre, aut, cph], Katharine Mullen [ctb]

OrgMassSpecR_0.5-3.tar.gz
OrgMassSpecR_0.5-3.tar.gz(r-4.5-noble)OrgMassSpecR_0.5-3.tar.gz(r-4.4-noble)
OrgMassSpecR_0.5-3.tgz(r-4.4-emscripten)OrgMassSpecR_0.5-3.tgz(r-4.3-emscripten)
OrgMassSpecR.pdf |OrgMassSpecR.html✨
OrgMassSpecR/json (API)
NEWS

# Install 'OrgMassSpecR' in R:

install.packages('OrgMassSpecR', repos = c('https://cran.r-universe.dev', 'https://cloud.r-project.org'))

Datasets:

example.chromatogram.multiple - Example Chromatograms
example.chromatogram.single - Example Chromatograms
example.sequence - Human Serum Albumin Amino Acid Sequence
example.spectrum.authentic - Example EI Fragmentation Spectra
example.spectrum.labeled - Example MALDI-TOF Spectrum of Nitrogen-15 Labeled Peptide
example.spectrum.peptide - Example Peptide Fragmentation Spectrum
example.spectrum.unknown - Example EI Fragmentation Spectra

This package does not link to any Github/Gitlab/R-forge repository. No issue tracker or development information is available.

20 exports 2.22 score 0 dependencies 2 dependents 8 mentions 53 scripts 326 downloads

Last updated 7 years agofrom:d3b9bfcf6a. Checks:OK: 2. Indexed: yes.

Target	Result	Date
Doc / Vignettes	OK	Aug 23 2024
R-4.5-linux	OK	Aug 23 2024

Exports:ConvertConcentration ConvertPeptide DeadVolume Digest DrawChromatogram ExchangeableAmides FlowTime FragmentPeptide IsotopicDistribution IsotopicDistributionHDX IsotopicDistributionN ListFormula MolecularWeight MonoisotopicMass PeptideSpectrum ReadMspDirectory ReadMspFile RetentionIndex SpectrumSimilarity WriteMspFile

Dependencies:

OrgMassSpecR Examples

Rendered fromOrgMassSpecR-examples.Rmdusingknitr::rmarkdownon Aug 23 2024.

Last update: 2017-08-13
Started: 2014-03-29

Citation

Readme and manuals

Help Manual

Help page	Topics
Organic Mass Spectrometry	OrgMassSpecR-package OrgMassSpecR
Convert Concentration Basis	ConvertConcentration
Convert peptide sequence.	ConvertPeptide
Internal volume of tubing.	DeadVolume
Predict Peptides Resulting from Enzymatic Digest	Digest
Plot a Chromatogram	DrawChromatogram
Example Chromatograms	example.chromatogram.multiple example.chromatogram.single
Human Serum Albumin Amino Acid Sequence	example.sequence
Example MALDI-TOF Spectrum of Nitrogen-15 Labeled Peptide	example.spectrum.labeled
Example Peptide Fragmentation Spectrum	example.spectrum.peptide
Example EI Fragmentation Spectra	example.spectrum.authentic example.spectrum.unknown
Determine the Number of Backbone Amide Hydrogens	ExchangeableAmides
Solvent transit time.	FlowTime
Predict Peptide Fragment Ions	FragmentPeptide
Isotopic Distribution of an Organic Molecule.	IsotopicDistribution
Isotopic Distribution of a Peptide Undergoing H-D Exchange	IsotopicDistributionHDX
Isotopic Distribution of a Nitrogen-15 Labeled Peptide.	IsotopicDistributionN
Convert an Elemental Formula to a List	ListFormula
Calculate the molecular weight of an organic molecule.	MolecularWeight
Calculate the monoisotopic mass or monoisotopic m/z value of an organic molecule.	MonoisotopicMass
Plot Annotated Peptide Fragmentation Mass Spectrum	PeptideSpectrum
Read in MSP Formatted Mass Spectra	ReadMspDirectory
Read in a MSP Formatted Mass Spectrum	ReadMspFile
Non-Isothermal Retention Index Calculation	RetentionIndex
Similarity Between Two Mass Spectra	SpectrumSimilarity
Write Spectra to the NIST MSP Text Format	WriteMspFile