CRAN

GCalignR 1.0.2

Simple Peak Alignment for Gas-Chromatography Data

Released Jul 16, 2018 by Meinolf Ottensmann

This package cannot yet be used with Renjin it depends on other packages which are not available: ggplot2 3.0.0 An older version of this package is more compatible with Renjin.

Dependencies

ggplot2 3.0.0 readr 1.1.1 stringr 1.3.1 pbapply 1.3-4 reshape2 1.4.3

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 .

Source

R

View GitHub Mirror

Release History