Package: InterpretMSSpectrum 1.5.3

InterpretMSSpectrum: Interpreting High Resolution Mass Spectra

High resolution mass spectrometry yields often large data sets of spectra from compounds which are not present in available libraries. These spectra need to be annotated and interpreted. 'InterpretMSSpectrum' provides a set of functions to perform such tasks for Electrospray-Ionization and Atmospheric-Pressure-Chemical-Ionization derived data in positive and negative ionization mode.

Authors:Jan Lisec [aut, cre], Jaeger Carsten [aut]

InterpretMSSpectrum_1.5.3.tar.gz
InterpretMSSpectrum_1.5.3.zip(r-4.7)InterpretMSSpectrum_1.5.3.zip(r-4.6)InterpretMSSpectrum_1.5.3.zip(r-4.5)
InterpretMSSpectrum_1.5.3.tgz(r-4.6-any)InterpretMSSpectrum_1.5.3.tgz(r-4.5-any)
InterpretMSSpectrum_1.5.3.tar.gz(r-4.7-any)InterpretMSSpectrum_1.5.3.tar.gz(r-4.6-any)
InterpretMSSpectrum_1.5.3.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION
card.svg |card.png
InterpretMSSpectrum/json (API)

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

Bug tracker:https://github.com/janlisec/interpretmsspectrum/issues

Uses libs:
  • openjdk– OpenJDK Java runtime, using Hotspot JIT
Datasets:

On CRAN:

Conda:

openjdk

5.16 score 3 stars 2 packages 8 scripts 685 downloads 4 mentions 14 exports 10 dependencies

Last updated from:f062991922. Checks:9 OK. Indexed: yes.

TargetResultTimeFilesSyslog
linux-devel-x86_64OK139
source / vignettesOK206
linux-release-x86_64OK146
macos-release-arm64OK95
macos-oldrel-arm64OK87
windows-develOK70
windows-releaseOK114
windows-oldrelOK86
wasm-releaseOK130

Exports:CountChemicalElementsfindMAINfml2exprGenerateMetaboliteSQLiteDBget_exactmassGetGroupFactorIMS_parallelInterpretMSSpectrumInterpretTPmScorePlotSpecReadSpecClipboardsendToMSFwriteMSF

Dependencies:enviPatfingerprintiteratorsitertoolsplyrpngrcdkrcdklibsRcpprJava