Package: msentropy 0.1.4

msentropy: Spectral Entropy for Mass Spectrometry Data

Clean the MS/MS spectrum, calculate spectral entropy, unweighted entropy similarity, and entropy similarity for mass spectrometry data. The entropy similarity is a novel similarity measure for MS/MS spectra which outperform the widely used dot product similarity in compound identification. For more details, please refer to the paper: Yuanyue Li et al. (2021) "Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification" <doi:10.1038/s41592-021-01331-z>.

Authors:Yuanyue Li [aut, cre]

msentropy_0.1.4.tar.gz
msentropy_0.1.4.zip(r-4.7)msentropy_0.1.4.zip(r-4.6)msentropy_0.1.4.zip(r-4.5)
msentropy_0.1.4.tgz(r-4.6-x86_64)msentropy_0.1.4.tgz(r-4.6-arm64)msentropy_0.1.4.tgz(r-4.5-x86_64)msentropy_0.1.4.tgz(r-4.5-arm64)
msentropy_0.1.4.tar.gz(r-4.7-arm64)msentropy_0.1.4.tar.gz(r-4.7-x86_64)msentropy_0.1.4.tar.gz(r-4.6-arm64)msentropy_0.1.4.tar.gz(r-4.6-x86_64)
msentropy_0.1.4.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
card.svg |card.png
msentropy/json (API)

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

Bug tracker:https://github.com/yuanyueli/msentropy/issues

Uses libs:
  • c++– GNU Standard C++ Library v3

On CRAN:

Conda:

cpp

1.52 score 1 stars 1 packages 11 scripts 784 downloads 5 exports 1 dependencies

Last updated from:e15bfa3b69. Checks:13 OK. Indexed: yes.

TargetResultTimeFilesSyslog
linux-devel-arm64OK106
linux-devel-x86_64OK113
source / vignettesOK171
linux-release-arm64OK107
linux-release-x86_64OK111
macos-release-arm64OK214
macos-release-x86_64OK297
macos-oldrel-arm64OK189
macos-oldrel-x86_64OK229
windows-develOK99
windows-releaseOK154
windows-oldrelOK78
wasm-releaseOK94

Exports:calculate_entropy_similaritycalculate_spectral_entropycalculate_unweighted_entropy_similarityclean_spectrummsentropy_similarity

Dependencies:Rcpp