A dataframe containing HMDB with unique accurate mass pmd with three digits frequency larger than 1 and accuracy percentage larger than 0.9.

A dataframe containing HMDB with unique accurate mass pmd with three digits frequency larger than 1 and accuracy percentage larger than 0.9.

data(hmdb)

Format

A dataframe with atoms numbers of C, H, O, N, P, S

percentage

accuracy of atom numbers prediction

pmd2

pmd with two digits

pmd

pmd with three digits