Get identification information from a metIdentifyClass object
Source:R/function4metIdentifyClass.R
get_iden_info.RdGet identification information from a metIdentifyClass object.
![[Maturing]](figures/lifecycle-maturing.svg)
get_iden_info(object, which.peak, database)Arguments
- object
A metIdentifyClass object.
- which.peak
A peak name or "all". "all" means all peaks with identifications will be output.
- database
Database used.
Value
A identification table (data.frame).
See also
The example and demo data of this function can be found https://jaspershen.github.io/metID/articles/metID.html
Examples
data("annotate_result", package = "metID")
data("msDatabase_hilic0.0.2", package = "metID")
peak_name <- which_has_identification(annotate_result)
get_iden_info(annotate_result, peak_name[1,1], database = msDatabase_rplc0.0.2)
#> # A tibble: 1 × 22
#> Compound.name CAS.ID HMDB.ID KEGG.ID Lab.ID Adduct mz.error mz.match.score
#> <chr> <chr> <chr> <chr> <chr> <chr> <dbl> <dbl>
#> 1 L-Carnitine 541-15-1 HMDB00062 C00318 RPLC_… (M+H)+ 1.67 0.994
#> # … with 14 more variables: RT.error <dbl>, RT.match.score <dbl>, CE <chr>,
#> # SS <dbl>, Total.score <dbl>, mz <chr>, RT <dbl>, Formula <chr>,
#> # mz.pos <dbl>, mz.neg <dbl>, Submitter <chr>, Family <chr>,
#> # Sub.pathway <chr>, Note <chr>