getMzShift: Get mass shift for target mz

In CeMOS-Mannheim/MALDIcellassay: Automated MALDI Cell Assays Using Dose-Response Curve Fitting

Get mass shift for target mz

Description

Get mass shift for target mz

Usage

getMzShift(
  peaks,
  targetMz,
  tol,
  tolppm = FALSE,
  verbose = TRUE,
  allowNoMatch = TRUE
)

Arguments

peaks	List of MALDIquant::MassPeak
targetMz	Numeric, target mass
tol	Numeric, tolerance around targetMz
tolppm	Logical, tolerance supplied in ppm
verbose	Logical, print logs to the console.
allowNoMatch	Logical, allow no matches.

Value

List with two entries: MzShift The mass shift for each spectrum specIdx The index of the spectra with a match for targetMz

Examples

data(Blank2022peaks)
getMzShift(Blank2022peaks, targetMz = 760.585, tol = 0.1, tolppm = FALSE)

CeMOS-Mannheim/MALDIcellassay documentation built on Jan. 24, 2025, 11:17 p.m.