GetSpectrumArray: Get Array of averaged spectra

Description Usage Arguments Value Examples

Description

Batch analog of GetAveSpectrum function. Get Array of spectra averaged (or summed) within desired RT intervals Corresponds to mzAccess web-service API function GetSpectrumArray Equal length of incoming lists is assumed. Averaging algorithm is vendor specific, therefore function has no cache option

Usage

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GetSpectrumArray(FileNames, MZLows, MZHighs, RTLows, RTHighs, Profile = FALSE)

Arguments

Profile

- If TRUE data will presented in profile mode how is was acquired by mass spectrometer, If FALSE data will be presented in peak centroided mode

FileName

- Name of original raw mass spectrometry file. Can be stated with or without path and extention

MZLow

- List of minimum m/z values to be included in spectrum

MZHigh

- List of maximum m/z values to be included in spectrum

RTLow

- List of minimum retention time values for RT range of averaged spectrum

RTHigh

- List of maximum retention time values for RT range of averaged spectrum

Value

List of data frames of Mass and Intensities for requested averaged spectra

Examples

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Coordinates for the glutamate peak observed in Figure 2A in reference paper
mz0 <- 148.0604342; dMz <- 0.002; d13C <- 1.0033548378;
Get two spectra in profile mode for isotopes envelope at 6th and 8th Minute
Spectra <- GetSpectrumArray(
 rep("Thermo_QE_cells_72h_LA_1", 2),
 rep(mz0 - 1,2),rep(mz0 + 5*d13C + 1,2),
 c(6,8), c(7,9), TRUE)

Yaroslav-Lyutvinskiy/MZAccessR documentation built on May 10, 2019, 12:06 a.m.