This package is considered a duplicate. The official version of this package is found at:https://andreysamokhin.r-universe.dev/mssearchr
Package: mssearchr 0.2.0
Andrey Samokhin
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.tar.gz(r-4.5-noble)mssearchr_0.2.0.tar.gz(r-4.4-noble)
mssearchr_0.2.0.tgz(r-4.4-emscripten)mssearchr_0.2.0.tgz(r-4.3-emscripten)
mssearchr.pdf |mssearchr.html✨
mssearchr/json (API)
NEWS
| # Install 'mssearchr' in R: |
| install.packages('mssearchr', repos = c('https://cran.r-universe.dev', 'https://cloud.r-project.org')) |
Bug tracker:https://github.com/andreysamokhin/mssearchr/issues
Datasets:
- massbank_alkanes - Mass spectra of alkanes
Last updated 17 days agofrom:8871217c40. Checks:OK: 2. Indexed: no.
| Target | Result | Date |
|---|---|---|
| Doc / Vignettes | OK | Dec 09 2024 |
| R-4.5-linux-x86_64 | OK | Dec 09 2024 |
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 |
