Detect and remove ISF signals from a SOI list using low collision energy MS2 data
removeISF( struct, id, DBpath = "D:/MS2ID_B2R_20201113_083214.rds", justAnnotate = FALSE )
struct | The RHermesExp object to which the SOI list will be saved. |
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id | ID of the SOI list to be filtered/checked. |
DBpath | Path to a MS2 spectral database with a specific format |
justAnnotate | Whether to actually remove the ISF or just keep them annotated. Defaults to FALSE (removes the ISF). If set to TRUE, you can then plot the ISF network with plotISF() |
An updated RHermesExp object where the selected SOI has had its ISF removed. If using justAnnotate = TRUE, the ISF aren't removed.
plotISF
if(FALSE){ #You need a MS2 Database with the proper format #(we are working on releasing one to the public soon enough) struct <- removeISF(struct, id = 1, DBpath = "MS2Database.rds") }