Mass spectrometer and program for mass spectrometer

A non-transitory computer readable medium storing a program for a mass spectrometer, the mass spectrometer including an ion source using an atmospheric pressure ionization method for ionizing a component contained in a liquid sample, a mass separator configured to separate ions derived from the sample component in accordance with a mass-to-charge ratio, and a detector configured to detect the separated ions, the program configured to optimize parameter values of device parameters including a plurality of parameters that affect ionization efficiency in the ion source, the program causing a computer to operate as:

• a measurement control function unit configured to control operations of the ion source, the mass separator, and the detector and to make measurements with values of device parameters determined by the optimization-time parameter determination function unit;
• an optimization-time parameter determination function unit configured to optimize parameter values based on a result acquired by the measurements made under control of the measurement control function unit using a Bayesian optimization method and to determine values of the device parameters in next measurement;
• a display processing function unit configured to display a sensitivity model which is a posterior distribution indicating a relationship between a plurality of parameters in all or some of the device parameters and signal strength estimated during the optimization of the device parameters in the measurement control function unit and the optimization-time parameter determination function unit, expressing as a graph like a heat map or an array of a plurality of the graphs on a display unit, and to sequentially update the sensitivity model;
• and
• a file creation function unit configured to allow a user to designate a position on the graph displayed on the display unit and to create a method file containing a measurement condition used in sample measurement, based on a combination of values of parameters corresponding to the designated position.