GetSpectrumbyRT: Get spectrum for RT

In Yaroslav-Lyutvinskiy/MZAccessR: R Interface to mzAccess Web-API

Description

Get Single scan spectrum on certain RT. Web-service will provide first spectrum where RT is not less than specified Corresponds to mzAccess web-service API function GetSpectrumbyRT

Usage

GetSpectrumByRT(FileName, MZLow, MZHigh, RT, Cache = FALSE, Profile = FALSE)

Arguments

FileName	- Name of original raw mass spectrometry file. Can be stated with or without path and extention
MZLow	- Minimum m/z value to be included in spectrum
MZHigh	- Maximum m/z value to be included in spectrum
RT	- retention time for which spectrum will be searched.
Cache	- If TRUE data will be loaded from fast access cache, if FALSE - from original raw files
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

Value

Data frame of Mass and Intensities for requested LC-MS area

Examples

GetSpectrumByRT("Thermo_QE_cells_72h_LA_3", MZLow = 50, MZHigh = 400, RT = 6, Cache = FALSE, Profile = FALSE)

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