 | This is the item page for this Wikibase entity, intended for internal use and editing purposes. Please use this page instead for the normal view: GCalignR |
Simple Peak Alignment for Gas-Chromatography Data
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | GCalignR |
Simple Peak Alignment for Gas-Chromatography Data |
Statements
22 January 2024
0 references
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>.
0 references
