Currently JMS supports largely mz only based matching. The pipeline has code for RT-based informed annotations, MS2-based annotations, and authentic standards.
These functions need to be ported into JMS where they really belong.
Subtasks:
[ ] RT search
[ ] MS2 annotation base algorithm
[ ] MS2 annotation msp support
[ ] MS2 annotation sqlite
[ ] authentic standard search
These algorithms all heavily use intervaltree type datastructures. Would suggst moving to that datastructure for m/z based queries too but that may be a major refactor.
Currently JMS supports largely mz only based matching. The pipeline has code for RT-based informed annotations, MS2-based annotations, and authentic standards.
These functions need to be ported into JMS where they really belong.
Subtasks:
These algorithms all heavily use intervaltree type datastructures. Would suggst moving to that datastructure for m/z based queries too but that may be a major refactor.