Package: Rdisop 1.65.1
Steffen Neumann
Rdisop: Decomposition of Isotopic Patterns
Identification of metabolites using high precision mass spectrometry. MS Peaks are used to derive a ranked list of sum formulae, alternatively for a given sum formula the theoretical isotope distribution can be calculated to search in MS peak lists.
Authors:
Rdisop_1.65.1.tar.gz
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Rdisop.pdf |Rdisop.html✨
Rdisop/json (API)
| # Install 'Rdisop' in R: |
| install.packages('Rdisop', repos = c('https://bioc.r-universe.dev', 'https://cloud.r-project.org')) |
Bug tracker:https://github.com/sneumann/rdisop/issues
On BioConductor:Rdisop-1.65.1(bioc 3.20)Rdisop-1.64.0(bioc 3.19)
Last updated 2 months agofrom:901b532f0a
Exports:addMoleculesdecomposeIsotopesdecomposeMassgetFormulagetIsotopegetMassgetMoleculegetScoregetValidinitializeChargesinitializeCHNOPSinitializeCHNOPSMgKCaFeinitializeCHNOPSNaKinitializeElementsinitializePSEisotopeScoresubMolecules
Dependencies:Rcpp
Readme and manuals
Help Manual
| Help page | Topics |
|---|---|
| Add/subtract sum formulae | addMolecules subMolecules |
| Mass Decomposition of Isotope Patterns | decomposeIsotopes decomposeMass isotopeScore |
| Calculate mass and isotope information for a molecule given as sum formula | getFormula getIsotope getMass getMolecule getScore getValid |
| Initialize (a subset of) elements of the periodic system of elements (PSE) | initializeCharges initializeCHNOPS initializeCHNOPSMgKCaFe initializeCHNOPSNaK initializeElements initializePSE |
