frags {LipidMS} | R Documentation |
Search for fragments of interest withing a list of coeluting fragments
Description
Given a set of coeluting fragments, this function searches for matches within a database. It is used by identification functions to extract fragments of interest based on the fragmentation patterns of each class of lipid.
Usage
frags(df, ppm, db, mdiff, charge, n)
Arguments
df |
data frame containing coeluting fragments |
ppm |
mass tolerance |
db |
database (data frame with two columns) where to look into |
charge |
mdiff |
Value
Data frame containing matched ions information
Author(s)
M Isabel Alcoriza-Balaguer <maialba@alumni.uv.es>
[Package LipidMS version 3.0.5 Index]