Get the high order unit based Mass Defect

Source: R/mda.R

Get the high order unit based Mass Defect

getmdh(mz, cus = c("CH2,H2"), method = "round")

Arguments

mz

numeric vector for exact mass

cus

chemical formula or reaction

method

you could use `round`, `floor` or `ceiling`

Value

high order Mass Defect with details

Examples

getmdh(getmass('C2H4'))
#>        mz MD1 MD2
#> 1 28.0313   0   0