Fig. 1
From: Improving MetFrag with statistical learning of fragment annotations
MetFrag processing of a single query spectrum (\(\underline {m}_{q}\)). The input for a MetFrag processing run is a query MS/MS spectrum and the candidate list. Fragments are generated in silico for each candidate and mapped to m/z fragment peaks in the given spectrum. The output is a list of assignments of m/z fragment peaks to fragment-structures for each candidate