ggplot2 four-group XIC (chrom + per-group m/z strips)

Panel 1: overlaid chromatograms for C0N0, CxN0, C0Ny, and CxNy (one S12C14N/S13C14N/S12C15N/S13C15N sample each). Panels 2–5: m/z vs RT strips per CN form.

Usage

plot_xcms_xic_cn_groups(
  xcms.xcms,
  mzr = NULL,
  rtr = NULL,
  title = NULL,
  subtitle = NULL,
  group_labels = NULL,
  theory_mz = NULL,
  base_size = 6,
  return.data = FALSE
)

Arguments

xcms.xcms

XCMSnExp with labeled PAVE sample metadata.

mzr

Length-2 numeric vector shared by all groups, or a named list of length-2 vectors per CN group.

group_labels

Optional named vector of strip labels (e.g. C5N0).

theory_mz

Optional named numeric vector of theoretical m/z per CN group (C0N0 base mzmed plus CN label mass shifts).

Value

A patchwork object with layout heights c(0.5, 0.1, 0.1, 0.1, 0.1), or a list when return.data = TRUE.