detect_peaks: Detect Peaks Take chromatographic data, return summary of...

In octopode/tidychrom: A Dead Simple Toolkit for Quantitative Chromatography

Detect Peaks Take chromatographic data, return summary of peaks above a hard threshold, SNR threshold, or biggest n peaks. Data should be input as one or more groups of rt: intensity, without gaps in RT. NOTE: improper grouping (e.g. by rt) will cause this function to return an empty tbl.

Description

Detect Peaks Take chromatographic data, return summary of peaks above a hard threshold, SNR threshold, or biggest n peaks. Data should be input as one or more groups of rt: intensity, without gaps in RT. NOTE: improper grouping (e.g. by rt) will cause this function to return an empty tbl.

Usage

detect_peaks(
  chromdata,
  thres_snr = 0,
  thres_intensity = 0,
  n = Inf,
  int_min = 1,
  target_rt
)

Arguments

chromdata	chromatographic data, preferable single-ion or -wavelength
thres_snr	intensity SNR threshold for peak detection
thres_intensity	Hard intensity threshold for peak detection
n	number of peaks to return
int_min	Minimum nonzero intensity, used to reasonably calculate SNR

Value

Peak rows for each group of the passed tibble, with a coords column containing the peak domain

Examples

peaks <- chromdata %>%
get_peaks(thres_snr = 20)

octopode/tidychrom documentation built on Nov. 2, 2022, 1:32 a.m.