Rdisop
This is the development version of Rdisop; for the stable release version, see Rdisop.
Decomposition of Isotopic Patterns
Bioconductor version: Development (3.21)
In high resolution mass spectrometry (HR-MS), the measured masses can be decomposed into potential element combinations (chemical sum formulas). Where additional mass/intensity information of respective isotopic peaks is available, decomposition can take this information into account to better rank the potential candidate sum formulas. To compare measured mass/intensity information with the theoretical distribution of candidate sum formulas, the latter needs to be calculated. This package implements fast algorithms to address both tasks, the calculation of isotopic distributions for arbitrary sum formulas (assuming a HR-MS resolution of roughly 30,000), and the ranked list of sum formulas fitting an observed peak or isotopic peak set.
Author: Anton Pervukhin [aut], Steffen Neumann [aut, cre] (ORCID:
Maintainer: Steffen Neumann <sneumann at ipb-halle.de>
citation("Rdisop")):
Installation
To install this package, start R (version "4.5") and enter:
if (!require("BiocManager", quietly = TRUE))
install.packages("BiocManager")
# The following initializes usage of Bioc devel
BiocManager::install(version='devel')
BiocManager::install("Rdisop")
For older versions of R, please refer to the appropriate Bioconductor release.
Documentation
To view documentation for the version of this package installed in your system, start R and enter:
browseVignettes("Rdisop")| Mass decomposition with the Rdisop package | HTML |
| Reference Manual | |
| INSTALL | Text |
Details
| biocViews | ImmunoOncology, MassSpectrometry, Metabolomics, Software |
| Version | 1.67.0 |
| In Bioconductor since | BioC 2.2 (R-2.7) (16.5 years) |
| License | GPL-2 |
| Depends | R (>= 2.0.0), Rcpp |
| Imports | |
| System Requirements | None |
| URL | https://github.com/sneumann/Rdisop |
| Bug Reports | https://github.com/sneumann/Rdisop/issues/new |
See More
| Suggests | knitr, rmarkdown, RUnit, testthat (>= 3.0.0) |
| Linking To | Rcpp |
| Enhances | |
| Depends On Me | |
| Imports Me | enviGCMS |
| Suggests Me | adductomicsR, RforProteomics, CorMID, InterpretMSSpectrum |
| Links To Me | |
| Build Report | Build Report |
Package Archives
Follow Installation instructions to use this package in your R session.
| Source Package | Rdisop_1.67.0.tar.gz |
| Windows Binary (x86_64) | |
| macOS Binary (x86_64) | |
| macOS Binary (arm64) | |
| Source Repository | git clone https://git.bioconductor.org/packages/Rdisop |
| Source Repository (Developer Access) | git clone git@git.bioconductor.org:packages/Rdisop |
| Bioc Package Browser | https://code.bioconductor.org/browse/Rdisop/ |
| Package Short Url | https://bioconductor.org/packages/Rdisop/ |
| Package Downloads Report | Download Stats |