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-any)InterpretMSSpectrum_1.5.3.zip(r-4.6-any)InterpretMSSpectrum_1.5.3.zip(r-4.5-any)
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

5.03 score 3 stars 2 packages 7 scripts 729 downloads 4 mentions 14 exports 10 dependencies

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

TargetResultTimeFilesSyslog
linux-develOK128
source / vignettesOK147
linux-releaseOK131
macos-releaseOK115
macos-oldrelOK99
windows-develOK77
windows-releaseOK90
windows-oldrelOK98
wasm-releaseOK106

Exports:CountChemicalElementsfindMAINfml2exprGenerateMetaboliteSQLiteDBget_exactmassGetGroupFactorIMS_parallelInterpretMSSpectrumInterpretTPmScorePlotSpecReadSpecClipboardsendToMSFwriteMSF

Dependencies:enviPatfingerprintiteratorsitertoolsplyrpngrcdkrcdklibsRcpprJava