OpenMS/OpenMS — pull request #938 by hroest (2014-08-14 18:54:32+00:00)
Title: Feature/precursor scoring

Allow OpenSWATH to also extract the precursor ion trace from a dataset (from the MS1 map) and compute a set of scores based on the precursor data. Currently these scores include

- shape and coelution score with the monoisotopic precursor trace in MS1
- delta ppm score between the theoretical and the experimental value in MS1