Design a generic API for MS libary search plugins

[uly55e5]

It should be possible to perform spectral library search with various search algortithms by providing a generic plugin API. Due to the fact, that a spectral search can be slow, the service should run asynchronously. The service should also accept a batch of spectra.

Asynchronous service

• a job queue to handle multiple requests with limited resources
• possibility to cancel
• max. lifetime of a result
• timeout for a job
• limited requests from single source(?)

Input Data for spectral search:

• MS Spectrum/Spectra (m/z, rel. intensity)
• Parameters (basic, advanced)

Return

• a handle to the current status or result
• Result: Scores/Probabilities, possibly multiple values per spectrum (with rendering hints for frontends)
• information about the search algorithm and the search (algorithm name, citations, parameters, statistics, considered spectra, runtime information ... )

Actions performed by the plugin

• spectral search (request -> status -> result)
• get update notification if MassBank data changes (to perform training, cache invalidation, binning, precalculation of values ...)
• provide information on plugin and algorithm
• parameter description with rendering hints for frontends