Re: Rdisop filter
Reply #1 –
Hi,
the filter argument was a start to implement sth. along the lines of what you want,
but not finished. To be honest, Rdisop is basically in maintenance mode.
You can select "valid" formulas with normal R operations:
data <- decomposeMass(180.063, ppm=50)
dbeidx <- data$DBE >0
nitrogenidx <- data$valid == "Valid"
data$formula[dbeidx & nitrogenidx]
Yours,
Steffen