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✨
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 741 downloads 4 mentions 14 exports 10 dependencies

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

TargetResultTimeFilesSyslog
linux-devel-x86_64OK141
source / vignettesOK202
linux-release-x86_64OK131
macos-release-arm64OK75
macos-oldrel-arm64OK128
windows-develOK232
windows-releaseOK251
windows-oldrelOK217
wasm-releaseOK121

Exports:CountChemicalElementsfindMAINfml2exprGenerateMetaboliteSQLiteDBget_exactmassGetGroupFactorIMS_parallelInterpretMSSpectrumInterpretTPmScorePlotSpecReadSpecClipboardsendToMSFwriteMSF

Dependencies:enviPatfingerprintiteratorsitertoolsplyrpngrcdkrcdklibsRcpprJava