crossTables {LipidMS} | R Documentation |
Cross the original MS1 peaklist with the annotation results
Description
Cross the original MS1 peaklist with the annotation results.
Usage
crossTables(msobject, ppm = 5, rttol = 10, dbs)
Arguments
msobject |
annotated msobject |
ppm |
mass tolerance in ppm. |
rttol |
rt tolerance to match peaks in seconds. |
dbs |
list of data bases required for annotation. By default, dbs contains the required data frames based on the default fragmentation rules. If these rules are modified, dbs may need to be supplied. See createLipidDB and assignDB. |
Value
msobject with an annotatedPeaklist, which is a data frame with 6 columns: mz, RT, int, LipidMSid, adduct and confidence level for the annotation. When multiple IDs are proposed for the same feature, they are sorted based on the annotation level and score.
Author(s)
M Isabel Alcoriza-Balaguer <maribel_alcoriza@iislafe.es>
[Package LipidMS version 3.0.5 Index]