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GCalignR  

Simple Peak Alignment for Gas-Chromatography Data
View on CRAN: Click here


Download and install GCalignR package within the R console
Install from CRAN:
install.packages("GCalignR")

Install from Github:
library("remotes")
install_github("cran/GCalignR")

Install by package version:
library("remotes")
install_version("GCalignR", "1.0.6")



Attach the package and use:
library("GCalignR")
Maintained by
Meinolf Ottensmann
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2017-02-06
Latest Update: 2024-01-22
Description:
Aligns peak based on peak retention times and matches homologous peaks across samples. The underlying alignment procedure comprises three sequential steps. (1) Full alignment of samples by linear transformation of retention times to maximise similarity among homologous peaks (2) Partial alignment of peaks within a user-defined retention time window to cluster homologous peaks (3) Merging rows that are likely representing homologous substances (i.e. no sample shows peaks in both rows and the rows have similar retention time means). The algorithm is described in detail in Ottensmann et al., 2018 .
How to cite:
Meinolf Ottensmann (2017). GCalignR: Simple Peak Alignment for Gas-Chromatography Data. R package version 1.0.6, https://cran.r-project.org/web/packages/GCalignR
Previous versions and publish date:
0.1.0 (2017-02-06 11:44), 1.0.0 (2017-09-15 00:28), 1.0.1 (2018-01-16 11:49), 1.0.2 (2018-07-16 12:00), 1.0.3 (2020-08-26 10:00), 1.0.5 (2023-01-26 20:20)
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