Identify standard ions through retention time clustering and PMD relationships

Identify standard ions through retention time clustering and PMD relationships

getstd(list, digits = 2, accuracy = 4)

Arguments

list

A list object from getpaired() containing paired features

digits

Rounding digits for mass differences

accuracy

Mass accuracy for standard ion identification

Value

List with added standard ion indices and metadata

See also

getpaired,getsda,plotstd

Examples

data(spmeinvivo)
pmd <- getpaired(spmeinvivo)
#> 75 retention time clusters found.
#> Using ng = 15
#> 5 unique PMDs retained.
#> The unique within RT clusters high frequency PMD(s) is(are)  28.03 21.98 44.03 17.03 18.01.
#> 409 isotope peaks found.
#> 109 multiple charged isotope peaks found.
#> 251 multiple charged peaks found.
#> 346 paired peaks found.
std <- getstd(pmd)
#> 8 group(s) have single peaks 14 23 32 33 54 55 56 75
#> 11 group(s) with multiple peaks while no isotope/paired relationship 4 5 7 8 11 ... 42 49 68 72 73
#> 9 group(s) with isotope without paired relationship 2 9 22 26 52 62 64 66 70
#> 4 group(s) with paired without isotope relationship 1 10 15 18
#> 43 group(s) with both paired and isotope relationship 3 6 12 13 16 ... 65 67 69 71 74
#> 292 standard masses identified.