mssearchr
0.2.0Library Search Against Electron Ionization Mass Spectral Databases
Overview
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.
New features
- Added reverse search for the Identity and Similarity algorithms.
- Added the
max_intstargument to thePreprocessMassSpectra()function.
Bug fixes
- Corrected the extraction of
InLibvalues equal toN/Afrom theSRCRESLT.TXTfile for the Similarity algorithm.
Internal changes
- Updated tests.
From NEWS.md in the release
Install
Health
- OK13 OK2026-08-05
- NOTE12 OK, 1 NOTE2026-08-01
- OK14 OK2026-04-22
- ERROR13 OK, 1 ERROR2026-04-18
- OK14 OK2026-03-10
Documentation
- Help pages
- 6
- Examples that run
- 80%4 run in a plain check · 1 never run
- Exported functions with examples
- 100%
- Documented parameters
- 91%
- Return-value docs
- 100%
- Help pages citing references
- 0%
Downloads
Repository
Stars over time
Releases over time
1 development-tooling and community-health practice detected across 1 family in the upstream repository
Checks run against github.com/andreysamokhin/mssearchr on 2026-10-11.
Dependencies
Installing mssearchr adds 1 package (1 with compiled code, 1.8 MB of source tarballs). Heaviest: Rcpp 1.8 MB.
Code & Tests
Datasets
People & History
Pick two releases to compare their code metrics.
- RR 4.6.0 released · 2026-04-24
- RR 4.5.0 released · 2025-04-11
- 0.2.0Latest
- 0.1.12024-06-25
- RR 4.4.0 released · 2024-04-24
Package metadata
- First published
- 2024-06-25
- Total releases
- 2 / 2 yrs
- License
- MIT + file LICENSE OSI
- Minimum R
- ≥ 3.5.0
- Bundled data
- 13 KB / 1 file
- Download size
- 49 KB
Cite
Cite this package
Run in R for the authors' entry:
citation("mssearchr")The package provides a citation file, so citation() returns the authors' own entry.
It points to 10.1021/jasms.4c00350.
Cite the R Observatory
For a number measured here: a download total, a coverage figure, an archival date.
From data release v2026-10-17, which the citation names so these numbers can be found later. More on citing and the projects behind them.