Mass spectrometer isolation profile analyser
AssigneeThermo Fisher Scientific (Bremen) GmbH
InventorsAdrian Schuetz, Amelia Corinne Peterson, Bastian Reitemeier, Bernd Hagedorn
Life of this patent
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Abstract
A method for characterising an isolation profile of a mass spectrometer includes obtaining data of an, or at least one ion species transmitted by a mass spectrometer forming an isolation profile of the mass spectrometer; normalizing the obtained data; providing the normalized data to a deep neural network trained using a plurality of previous isolation profiles; generating from the deep neural network a set of fit parameters of a curve representing a fit to the normalized data; and providing as an output, data representing the curve. The method may be used as part of a calibration procedure for the mass spectrometer.
Claims19
A method for characterising an isolation profile of a mass spectrometer, the method comprising the steps of:
- obtaining data of an, or at least one ion species transmitted by a mass spectrometer forming an isolation profile of the mass spectrometer;
- normalizing the obtained data;
- providing the normalized data to a deep neural network trained using a plurality of previous isolation profiles;
- generating from the deep neural network a set of fit parameters of a curve representing a fit to the normalized data;
- using the fit parameters as the starting point for a curve fit function;
- executing the curve fit function to generate a curve;
- and
- providing as an output, data representing the curve.
A mass spectrometer, comprising:
- a mass analyser;
- a detector;
- and
- means adapted to execute the steps of:
- obtaining data of an, or at least one ion species transmitted by a mass spectrometer forming an isolation profile of the mass spectrometer;
- normalizing the obtained data;
- providing the normalized data to a deep neural network trained using a plurality of previous isolation profiles;
- generating from the deep neural network a set of fit parameters of a curve representing a fit to the normalized data;
- using the fit parameters as the starting point for a curve fit function;
- executing the curve fit function to generate a curve;
- and
- providing as an output, data representing the curve.
A computer program product comprising instructions to cause a mass spectrometer to execute the steps of:
- obtaining data of an, or at least one ion species transmitted by the mass spectrometer forming an isolation profile of the mass spectrometer;
- normalizing the obtained data;
- providing the normalized data to a deep neural network trained using a plurality of previous isolation profiles;
- generating from the deep neural network a set of fit parameters of a curve representing a fit to the normalized data;
- using the fit parameters as the starting point for a curve fit function;
- executing the curve fit function to generate a curve;
- and
- providing as an output, data representing the curve.
Dependencies are inferred from the claim text.