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 <doi:10.1371/journal.pone.0198311>.
Version: 1.0.7 Depends: R (≥ 3.2.5) Imports: ggplot2 (≥ 2.2.1), graphics, stats, readr, reshape2, stringr, utils, pbapply, methods, tibble Suggests: knitr, pander, rmarkdown, testthat, vegan (≥ 2.4.2) Published: 2024-07-03 DOI: 10.32614/CRAN.package.GCalignR Author: Meinolf Ottensmann [aut, cre], Martin Stoffel [aut], Hazel J. Nichols [aut], Joseph I. Hoffman [aut] Maintainer: Meinolf Ottensmann <meinolf.ottensmann at web.de> BugReports: https://github.com/mottensmann/GCalignR/issues License: GPL-2 | GPL-3 | file LICENSE [expanded from: GPL (≥ 2) | file LICENSE] URL: https://github.com/mottensmann/GCalignR NeedsCompilation: no Language: en-GB Citation: GCalignR citation info Materials: README NEWS In views: ChemPhys CRAN checks: GCalignR resultsRetroSearch is an open source project built by @garambo | Open a GitHub Issue
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