align_peaks_fast: align peaks individually among chromatograms

In mastoffel/GCalignR: Simple Peak Alignment for Gas-Chromatography Data

align peaks individually among chromatograms

Description

align_peaks_fast is a fast implementation to sort peaks strictly based on the exact retention time values across samples. See align_peaks for details on the standard approach.

Usage

align_peaks_fast(gc_peak_list, rt_col_name)

Arguments

gc_peak_list	List of data.frames. Each data.frame contains GC-data (e.g. retention time, peak area, peak height) of one sample. Variables are stored in columns. Rows represent distinct peaks. Retention time is a required variable.
rt_col_name	A character giving the name of the column containing the retention times. The decimal separator needs to be a point.

Details

Creates a matrix with the number of rows corresponding to the unique number of retention times across the dataset. Then, for each sample peaks are mapped to the corresponding row (=retention time) of the matrix and in parallel gc_peak_list is updated.

Value

a list of data.frames containing GC-data with aligned peaks.

Author(s)

Martin Stoffel ([e-mail]) & Meinolf Ottensmann ([e-mail])

mastoffel/GCalignR documentation built on Feb. 4, 2024, 2:39 p.m.