Description Usage Arguments Value Examples
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
1 | GetSpectrumArray(FileNames, MZLows, MZHighs, RTLows, RTHighs, Profile = FALSE)
|
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 |
List of data frames of Mass and Intensities for requested averaged spectra
1 2 3 4 5 6 7 | 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)
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