Support systems for mass spectrometry scientific instruments

A computer-implemented method for scientific instrument support including:

• loading a batch of raw spectrum files generated by a mass spectrometer;
• dividing the raw spectrum files into a first subset and a second subset;
• processing each of the first subset of raw spectrum files with a machine learning model to generate a first subset of spectrum match files;
• generating a screening list from the first subset of spectrum match files;
• and
• processing each of the second subset of raw spectrum files and the screening list with the machine learning model to generate a second subset of spectrum match files.

A scientific instrument support apparatus including:

• first logic to receive a batch of raw data structures generated by a mass spectrometer;
• and
• second logic to:
• divide the batch of raw data structures into a first subset and a second subset,
• generate a first subset of processed data structures by providing each of the first subset of raw data structures to an artificial-intelligence-enabled data analysis system,
• parse the first subset of processed data structures to build a comparison list, and
• generate a second subset of processed data structures by providing each of the second subset of raw data structures and the comparison list to the artificial-intelligence-enabled data analysis system.