FastRet

1.3.0

Retention Time Prediction in Liquid Chromatography

0packages depend

2.8Kdownloads / year

29.8%test coverage

8/13checks pass

Overview

About

Maintained by Tobias SchmidtFirst published 2024-06-253 releasesCRAN page ↗GitHub ↗

A framework for predicting retention times in liquid chromatography. Users can train custom models for specific chromatography columns, predict retention times using existing models, or adjust existing models to account for altered experimental conditions. The provided functionalities can be accessed either via the R console or via a graphical user interface. Related work: Bonini et al. (2020) doi:10.1021/acs.analchem.9b05765.

Install

R (CRAN)pak (dev)Ubuntu (r2u)Fedora (COPR)

install.packages("FastRet", repos = "https://cloud.r-project.org/")

Installs the current CRAN release. Prebuilt binaries on Windows and macOS.

if (!requireNamespace("pak", quietly = TRUE))
  install.packages("pak", repos = "https://cloud.r-project.org/")
pak::pak("spang-lab/FastRet")

Development version from spang-lab/FastRet. Installs pak first if it is not already available.

Release

# enable cranapt (r2u) if it is not already set up, then install
grep -rqs r2u.stat.illinois.edu /etc/apt/sources.list /etc/apt/sources.list.d/ \
  || curl -fsSL https://raw.githubusercontent.com/eddelbuettel/r2u/master/inst/scripts/add_cranapt_noble.sh | sudo bash
sudo apt install -y r-cran-fastret

Fast Ubuntu binaries via r2u (no compilation). The cranapt setup runs once and is skipped when it is already enabled.

bspm (used by r2u) also needs make: sudo apt install make

# enable the iucar/cran COPR if it is not already present, then install
ls /etc/yum.repos.d/*iucar*cran*.repo >/dev/null 2>&1 \
  || sudo dnf copr enable -y iucar/cran
sudo dnf install -y R-CRAN-FastRet

RPMs from the iucar/cran COPR, rebuilt from CRAN.

For install.packages() integration in R, also: sudo dnf install R-CoprManager

Health

CRAN checks

5NOTE8OK

Failing flavors

NOTE r-devel-linux-x86_64-debian-clang
NOTE r-devel-linux-x86_64-debian-gcc
NOTE r-devel-linux-x86_64-fedora-clang
NOTE r-devel-linux-x86_64-fedora-gcc
NOTE r-devel-windows-x86_64

Slowest check: 2.3 min · r-devel-linux-x86_64-fedora-clang

Code health

Yes

Tests · ratio 0.15

29.8%

Coverage · measured lines

100%

Documentation · exports

Dependencies · direct

Check history

NOTE2026-07-16
10 OK · 3 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
OK2026-07-14
13 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
ERROR2026-07-10
12 OK · 0 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE
OK2026-05-26
13 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
ERROR2026-05-24
12 OK · 0 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE

Show 3 earlier snapshots

OK2026-04-06
14 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
ERROR2026-04-04
13 OK · 0 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE
OK2026-03-10
14 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE

Documentation

READMEYes · 274 wordsVignettesNopkgdown siteNoNEWSYes · 100% structuredCode of conductNoContributing guideNo

Examples that run: 96%
Documented parameters: 96%
Return-value docs: 93%
References docs: 3%

Downloads

2.8K

CRAN downloads in the past year

Rank #17,338 · ~8/day · ~233/mo

Releases R versions

Daily download trend is not available in this view yet.

24830 days

67290 days

2.8K1 year

Compare downloads with other packages →

Also on141 r2u

Repository

GitHub ↗ spang-lab/fastret

2Stars

0Forks

0Open issues

0Open PRs

7Releases

79Commits

1Contributors

data-sciencelcms

79 commits · Last activity 2026-07-12

Stars over time

2025-06-08 · 22026-07-07 · 2

Repository practices

Upstream repositoryBeta

5 development-tooling and community-health practices detected across 4 families in the upstream repository

Checks run against github.com/spang-lab/fastret on 2026-07-19.

Continuous integration (1)

GitHub Actions

CRAN release process (2)

cran-comments.mdCRAN-SUBMISSION

Lint, format, editor (1)

lintr

Coverage (1)

Codecov

How this is detected·Detection ruleset v1 (2026-07-18)

Dependencies

Declared dependencies

32 external dependencies (excludes base and recommended)

Depends (1)

R >= 4.1.0

Imports (17)

bslibclusterdata.table DT future ggplot2 glmnet htmltools openxlsx promises rcdk rlang shiny shinyhelper shinyjs withr xgboost

LinkingTo (0)

none

Suggests (16)

callr caret cli devtools knitr languageserver lintr pkgdown pkgbuild pkgload rmarkdown servr tibble testthat toscutil usethis

Enhances (0)

none

Dependency license breakdown →

Reverse dependencies

0direct

0indirect

Nothing depends on this yet.

Code & Tests

Code Composition

R 5,103 (82%)Rd 1,148 (18%)

Code characteristics

Object systems

S32

Cyclomatic complexity: 1.0 median / 25 max
Test cases: 36 / 0.15 per code line

Test coverage

Line coverage

30%

Expression

37.2%

Tests / Examples

29.8% / 27% ex

Functions

105 25 exported

Complexity

3.1 avg / 25 max

Call network

105 nodes / 142 edges

Call graph

Open call graph →

Loading call graph…

Lowest coverage

105 functions

Function	Cyclo	Coverage
analyzeCDNames exp	3	0%
as_canonical exp	1	0%
catf exp	4	0%
collect exp	1	0%
fastret_app exp	1	0%
init_log_dir exp	2	0%

Datasets

Bundled datasets · 1

Name	Class	Rows × Cols	Also ships in
RP	data.frame	442 × 3	–

People & History

People (6)

Maintainer (1)

Tobias Schmidt

Author, Maintainer, Copyright holder

Authors (3)

Tobias Schmidt

Author, Maintainer, Copyright holder

Christian Amesoeder

Author, Copyright holder

Marian Schoen

Author, Copyright holder

Contributors (1)

Fadi Fadil

Contributor, Copyright holder

Tobias Schmidt

Author, Maintainer, Copyright holder

Christian Amesoeder

Author, Copyright holder

Marian Schoen

Author, Copyright holder

Fadi Fadil

Contributor, Copyright holder

Katja Dettmer

Thesis advisor, Copyright holder

Peter Oefner

Thesis advisor, Copyright holder

Package Timeline

3 releases. Pick two to compare their code metrics. R releases are shown for context.

R
R 4.6.0 released · 2026-04-24
1.3.0Latest
2025-12-18 · current release · diff ↗
R
R 4.5.0 released · 2025-04-11
1.1.4
2025-02-10 · diff ↗
unarchivedReturned to CRAN
2025-02-10
archivedRemoved from CRAN
2024-07-09
policy violation Does not clean up usage of ~/.R.cache
1.1.3
2024-06-25
R
R 4.4.0 released · 2024-04-24

Package metadata

First published: 2024-06-25
Total releases: 3 / 2 yrs
License: GPL-3 OSI
Minimum R: ≥ 4.1.0
Bundled data: 7.6 KB / 1 file
Download size: 1.3 MB
Installed size: not tracked yet
With dependencies: not tracked yet

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