extract_chromatograms: Extract Chromatograms

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

Extract Chromatograms

Description

Extract Chromatograms

Usage

extract_chromatograms(peaks, chromdata, x = "mz", threshold = 0, cores = 1)

Arguments

peaks	Tibble with columns scan and mz/wl, and other identifiers
chromdata	Full-spectrum chromatographic data
x	Name of x-axis variable (mz or wl, etc.)
threshold	Hard intensity threshold for the XIC
scans_gap	Number of consecutive missing scans allowed in a peak

Value

A tibble of XICs or single-wavelength chromatograms for the full peaks centered on scan (ready for integration!) Peak ID columns like roi are preserved.

Examples

xics_matched <- peaks_matched %>%
extract_chromatograms(chromdata)

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