combineChains {LipidMS} | R Documentation |
Combine chain fragments that could belong to the same precursor.
Description
It calculates combinations of chain fragments that sum up the same number of carbons and double bounds as the precursor.
Usage
combineChains(candidates, nchains, sn1, sn2, sn3, sn4)
Arguments
candidates |
candidates data frame. Output of findCandidates. |
nchains |
number of chains of the targeted lipid class. |
sn1 |
list of chain fragments identified for sn1 position. Output of chainFrags. |
sn2 |
list of chain fragments identified for sn2 position. Output of chainFrags. If required. |
sn3 |
list of chain fragments identified for sn3 position. Output of chainFrags. If required. |
sn4 |
list of chain fragments identified for sn4 position. Output of chainFrags. If required. |
Value
List of data frames with candidate chains structures.
Author(s)
M Isabel Alcoriza-Balaguer <maribel_alcoriza@iislafe.es>
[Package LipidMS version 3.0.5 Index]