align_peaks_fast function

align peaks individually among chromatograms

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.

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.

Returns

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

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.

Author(s)

Martin Stoffel (martin.adam.stoffel@gmail.com) & Meinolf Ottensmann (meinolf.ottensmann@web.de)