Package: mssearchr 0.2.0
mssearchr: Library Search Against Electron Ionization Mass Spectral Databases
Perform library searches against electron ionization mass spectral databases using either the API provided by 'MS Search' software (<https://chemdata.nist.gov/dokuwiki/doku.php?id=chemdata:nistlibs>) or custom implementations of the Identity and Similarity algorithms.
Authors:
mssearchr_0.2.0.tar.gz
mssearchr_0.2.0.zip(r-4.7)mssearchr_0.2.0.zip(r-4.6)mssearchr_0.2.0.zip(r-4.5)
mssearchr_0.2.0.tgz(r-4.6-x86_64)mssearchr_0.2.0.tgz(r-4.6-arm64)mssearchr_0.2.0.tgz(r-4.5-x86_64)mssearchr_0.2.0.tgz(r-4.5-arm64)
mssearchr_0.2.0.tar.gz(r-4.7-arm64)mssearchr_0.2.0.tar.gz(r-4.7-x86_64)mssearchr_0.2.0.tar.gz(r-4.6-arm64)mssearchr_0.2.0.tar.gz(r-4.6-x86_64)
mssearchr_0.2.0.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
mssearchr/json (API)
| # Install 'mssearchr' in R: |
| install.packages('mssearchr', repos = c('https://andreysamokhin.r-universe.dev', 'https://cloud.r-project.org')) |
Bug tracker:https://github.com/andreysamokhin/mssearchr/issues
- massbank_alkanes - Mass spectra of alkanes
Last updated from:ff77602f20. Checks:13 OK. Indexed: yes.
| Target | Result | Time | Files | Syslog |
|---|---|---|---|---|
| linux-devel-arm64 | OK | 111 | ||
| linux-devel-x86_64 | OK | 115 | ||
| source / vignettes | OK | 159 | ||
| linux-release-arm64 | OK | 139 | ||
| linux-release-x86_64 | OK | 108 | ||
| macos-release-arm64 | OK | 131 | ||
| macos-release-x86_64 | OK | 435 | ||
| macos-oldrel-arm64 | OK | 175 | ||
| macos-oldrel-x86_64 | OK | 372 | ||
| windows-devel | OK | 97 | ||
| windows-release | OK | 140 | ||
| windows-oldrel | OK | 95 | ||
| wasm-release | OK | 96 |
Exports:LibrarySearchLibrarySearchUsingNistApiPreprocessMassSpectraReadMspWriteMsp
Dependencies:Rcpp
Readme and manuals
Help Manual
| Help page | Topics |
|---|---|
| Perform the library search within R | LibrarySearch |
| Perform the library search using an API from NIST | LibrarySearchUsingNistApi |
| Mass spectra of alkanes | massbank_alkanes |
| Pre-process mass spectra | PreprocessMassSpectra |
| Read mass spectra from an msp-file (NIST format) | ReadMsp |
| Write mass spectra in an msp-file (NIST format) | WriteMsp |
