xraw: Experimental data to deconvolve cysteine

In yufree/decoMS2: Deconvolution of heterogeneous MS2 spectra collected for metabolite identification in untargeted metabolomics experiments.

Description

Experimental data to deconvolve cysteine

Usage

data(xraw)

Format

The format is: Formal class 'xcmsRaw' [package "xcms"] with 20 slots ..@ env :<environment: 0x106258430> ..@ tic : num [1:62] 2106 1929 237638 960298 662368 ... ..@ scantime : num [1:62] 2.42 2.91 5.91 8.91 11.91 ... ..@ scanindex : int [1:62] 0 80 152 1319 3448 5624 7686 9899 12004 14092 ... ..@ polarity : Factor w/ 3 levels "negative","positive",..: 1 1 1 1 1 1 1 1 1 1 ... ..@ acquisitionNum : int [1:62] 2428 2915 5916 8919 11919 14921 17924 20925 23927 26928 ... ..@ profmethod : chr "bin" ..@ profparam : list() ..@ mzrange : num [1:2] 30 200 ..@ gradient : logi[0 , 0 ] ..@ msnScanindex : int [1:236] 0 71 206 314 484 793 1166 1359 1624 2149 ... ..@ msnAcquisitionNum : int [1:236] 3911 4409 4908 5407 6911 7410 7909 8409 9914 10412 ... ..@ msnPrecursorScan : int [1:236] NA NA NA NA NA NA NA NA NA NA ... ..@ msnLevel : int [1:236] 2 2 2 2 2 2 2 2 2 2 ... ..@ msnRt : num [1:236] 3.9 4.4 4.9 5.4 6.9 ... ..@ msnPrecursorMz : num [1:236] 121 121 114 114 121 121 114 114 121 121 ... ..@ msnPrecursorIntensity: num [1:236] 2646 7695 5013 10508 25815 ... ..@ msnPrecursorCharge : int [1:236] 1 1 1 1 1 1 1 1 1 1 ... ..@ msnCollisionEnergy : num [1:236] 20 0 20 0 20 0 20 0 20 0 ... ..@ filepath : chr "../data/aa_deconvolution/shiftingWindows/set1_cys.mzML"

Examples

data(xraw)
## maybe str(xraw) ; plot(xraw) ...

yufree/decoMS2 documentation built on May 27, 2019, 9:56 a.m.