Plot one wrong-CN-in-PAVE CN-bundle demo — plot_compare_pave_wrong_cn_pave

Star graph from the CN seed (C0N0) to the three TRACE bundle nodes and all PAVE-only CN-bundle nodes (e.g. C8N0, C8N4 when TRACE is C7N4). Nodes are labelled with m/z, RT, and CxNy; edges with m/z and RT error.

Usage

plot_compare_pave_wrong_cn_pave_demo(
  object,
  assignment = NULL,
  pave.trace.merged = NULL,
  pave.trace.merged.lib = NULL,
  index = 1L,
  demos = NULL,
  i.pol = 0,
  trace_fill = "#4DBBD5",
  pave_fill = "#FBD6D3",
  center_fill = "grey85",
  title = NULL,
  return.data = FALSE
)

Arguments

object: MSdev object with TRACE CN network results.
assignment: Manual-review assignment table or xlsx path.
index: 1-based index into ranked demos.
demos: Optional precomputed demo list.
i.pol: Polarity index (0 = negative).
trace_fill: Fill colour for TRACE bundle nodes.
pave_fill: Fill colour for the PAVE-wrong node.
center_fill: Fill colour for the C0N0 seed.
return.data: If TRUE, return list with plot and tables.

Value

A ggplot object, or a list when return.data = TRUE.