extract_chromatograms2: Extract Chromatograms 2 Same interface as...

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

Extract Chromatograms 2 Same interface as extract_chromatograms(), but more robust to peak shape, saturation, etc.

Description

Extract Chromatograms 2 Same interface as extract_chromatograms(), but more robust to peak shape, saturation, etc.

Usage

extract_chromatograms2(
  chromdata,
  x = "mz",
  thres_hard = 0,
  thres_snr = 100,
  cores = 1
)

Arguments

chromdata	Full-spectrum chromatographic data
x	Name of x-axis variable (mz or wl, etc.)
thres_hard	Hard intensity threshold for the XIC
peaks	Tibble with columns scan and mz/wl, and other identifiers

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.