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.

Getting started

Package details

AuthorAndrey Samokhin [aut, cre, cph] (<https://orcid.org/0000-0003-0223-6087>)
MaintainerAndrey Samokhin <andrey.s.samokhin@gmail.com>
LicenseMIT + file LICENSE
Version0.2.0
URL https://mass-spec.ru/projects/gcmsdata/mssearchr/eng/
Package repositoryView on CRAN
Installation Install the latest version of this package by entering the following in R:
install.packages("mssearchr")

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mssearchr documentation built on April 3, 2025, 8:28 p.m.