diff --git a/vignettes/globalstd.Rmd b/vignettes/globalstd.Rmd index 886348f..af53a0f 100644 --- a/vignettes/globalstd.Rmd +++ b/vignettes/globalstd.Rmd @@ -258,7 +258,13 @@ plotstdsda(sda2) When you only have data of peaks without retention time or compounds list, structure/reaction directed analysis could also be done by `getrda` function. ```{r rda} -sda <- getrda(spmeinvivo$mz[std$stdmassindex]) +sda <- getrda(spmeinvivo$mz) +# check high frequency pmd +colnames(sda) +# get certain pmd related m/z +idx <- sda[,'2.016'] +# show the m/z +spmeinvivo$mz[idx] ``` ## Wrap function for GlobalStd algorithm