Biotransformations {MAIT} | R Documentation |
This function takes a MAIT-class object having significant features already detected and looks up for biotransformations between them. MAIT has a default biotransformation table that will be used if no other table is specified via the bioTable input parameter.
Biotransformations(MAIT.object = NULL, peakPrecision = 0.005, bioTable = NULL, adductTable = NULL, adductAnnotation = FALSE)
MAIT.object |
A MAIT-class object where significant features have already been found. |
peakPrecision |
Maximum difference between the peak masses differences and the values shown in bioTable to be considered as a biotransformation. As default the value is 0.005 Da. |
bioTable |
Table containing the biotransformations to be looked for in the signData input. By default it is taken the MAIT-class biotransformations table. |
adductTable |
Table containing the adducts to be looked for in the signData input. By default it is taken the MAIT-class positive adducts table. If this argument is set to "negAdducts", then the default table for negative adducts is taken instead. It is possible to use a user-defined adduct table |
adductAnnotation |
If it is set to TRUE, both adduct and Biotransformations annotation stages are performed. |
A MAIT-class object with the updated biotransformations slot
Francesc Fernandez, francesc.fernandez.albert@upc.edu
spectralAnova
spectralTStudent
data(MAIT_sample) MAIT<-spectralSigFeatures(MAIT,p.adj="fdr",parametric=TRUE) MAIT<-Biotransformations(MAIT.object = MAIT, peakPrecision = 0.005) MAIT@FeatureInfo@biotransformations; #Detected Biotransformations