Prepare a readable output for LipidMS identification functions.
organizeResults(
candidates,
clfrags,
classConf,
chainsComb,
intrules,
intConf,
nchains,
class,
acquisitionmode
)candidates data frame. Output of findCandidates.
vector containing the expected fragments for a given lipid class.
output of checkClass
output of combineChains
character vector specifying the fragments to compare. See checkIntensityRules.
output of checkIntensityRules
number of chains of the targeted lipid class.
character value. Lipid class (i.e. PC, PE, DG, TG, etc.).
acquisition mode (DIA or DDA).
M Isabel Alcoriza-Balaguer <maribel_alcoriza@iislafe.es>
Coelution score for DIA data is calculated as the mean coelution score of all fragments used for annotation, while for DDA data, it is calculated as the sum relative intensity of those fragments in theie MS2 scan.