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Match list of standards to peak table

Source: R/standard_stats.R
closest_match.Rd

This function will match a table of standard compounds and a peak table by m/z and retention time. If there is more than one possible hit the highest intensity peak will be chosen.

Usage

closest_match(
  stds,
  peakTable,
  rt_tol = 0.25,
  mz_ppm = 30,
  rt_col = "rt",
  mz_col = "mz",
  int_col = "into"
)

Arguments

stds

tibble of standards to match to a peak table

peakTable

tibble containing peak table supplied by findPeaks (but converted to tibble/data.frame).

rt_tol

Retention time tolerance for matching peaks. Pay attention to the unit of your tables. rt_tol should match and stds and peakTable should use same units (i.e. minutes of seconds).

mz_ppm

ppm for matching peaks.

rt_col

Character string giving the column containing the retention times. Must be same in standards and peak table.

mz_col

Character string giving the column containing the m/z values. Must be same in standards and peak table.

int_col

Character string giving the column containing the intensities in the peak table.

Value

A vector having the length equivalent to the number of rows in stds giving the indices of the hits in peakTable.