GCalignR
Simple Peak Alignment for Gas-Chromatography Data
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.
- Version1.0.7
- R versionunknown
- LicenseGPL-2
- LicenseGPL-3
- LicenseLICENSE
- Needs compilation?No
- Languageen-GB
- GCalignR citation info
- Last release07/03/2024
Documentation
Team
Meinolf Ottensmann
Martin Stoffel
Show author detailsRolesAuthorHazel J. Nichols
Show author detailsRolesAuthorJoseph I. Hoffman
Show author detailsRolesAuthor
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- Imports6 packages
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