RMassBank
Bioc currentWorkflow to process tandem MS files and build MassBank records
Release Lineage
Entered 2.11 · Oct 3, 2012
Current · Requires R 4.6
Description
Workflow to process tandem MS files and build MassBank records. Functions include automated extraction of tandem MS spectra, formula assignment to tandem MS fragments, recalibration of tandem MS spectra with assigned fragments, spectrum cleanup, automated retrieval of compound information from Internet databases, and export to MassBank records.
None published for Bioconductor
Test coverage
Line coverage
–
Expression
–
Tests / Examples
–
Functions
210 125 exported
Complexity
5.2 avg / 51 max
Call network
210 nodes / 301 edges
Test coverage is not measured for Bioconductor packages; nodes fall back to a neutral fill.
Call graph
Open call graph →Lowest coverage
Per-function coverage is not measured for this package yet.
Code
Structure
Lines of code
20,968
Files
184
Compiled share
0%
Has compiled src
No
Language breakdown
API
Exported functions
141
Internal functions
85
Testing
Has tests
Yes
Test-to-code ratio
0.00
testthat edition
–
Docs
Roxygen coverage
100%
Health & Security signals
Informational signals; not verdicts.
on.exit coverage
10.5%
Unsafe pattern score
0
Dep constraint coverage
0%
Secret pattern count
0
Bundled 3rd-party code
2 items
Portability & License
Min R version
–
System requirements
1 externalOpenBabel
C++ standard
–
License
Artistic-2.0
License flags
SPDX valid, OSI approved
History
Versions
28
First release
2012-10-01
Latest release
2026-04-28
Avg cadence
182 days
Cold removal rate
100%
Dep drift
27
LOC over versions
Per-file churn detail lives in the source pipeline: https://github.com/r-observatory/bioc-code-metrics.
Documentation
- Help pages
- 126
- Examples that run
- 25%18 run in a plain check · 54 never run
- Exported functions with examples
- 64%
- Documented parameters
- 99%
- Return-value docs
- 86%
- Help pages citing references
- 16%
Repository practices
Checks read the Bioconductor git repository (git.bioconductor.org), branch RELEASE_3_23.
3 practices detected in the Bioconductor git repository
Topics
Suggested by (1)
People
- RMassBank at Eawag maintainer
- Erik Muller author
- Steffen Neumann author
- Tobias Schulze author
- Emma L. Schymanski author
- Paul Stahlhofen author
- Michael A. Stravs author
- Hendrik Treutler contributor
Cite
Cite this package
Run in R for the authors' preferred citation:
citation("RMassBank")The package provides a citation file that builds its entry when R runs it. Run citation() to see it.
Cite the R Observatory
For a number measured here: a download total, a coverage figure, an archival date.
From data release v2026-10-25, which the citation names so these numbers can be found later. More on citing and the projects behind them.