Analytical Instrument Calibration Using Ion Group Segmentation
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Solution Overview
Problem
Current methods for calibrating analytical instruments like mass and/or ion mobility spectrometers use a single calibration for all ions, which can lead to inaccuracies due to differences in initial conditions such as charge state and ion energy, even for ions with the same intrinsic mass-to-charge ratio.
Innovation Solution
A method that identifies groups of ions with similar attributes and applies specific calibrations to each group based on their attribute values, such as charge state, ion mobility, or initial energy, to account for these differences and improve calibration accuracy.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If a single calibration is used for all ions, then the calibration process is simple and fast, but the measurement precision deteriorates due to differences in initial conditions among ion groups
Solution Approach 1:
The patent segments the ion population into multiple groups based on their attributes (charge state, ion mobility, initial energy). Each group is then calibrated separately using group-specific calibration parameters, rather than applying a single universal calibration to all ions. This segmentation allows the system to account for differences in initial conditions among different ion groups, thereby improving measurement precision while managing complexity through systematic grouping.
Solution Approach 2:
The patent applies local quality by using different calibration parameters for different ion groups. Instead of a uniform calibration approach, each ion group receives a tailored calibration based on its specific attributes and initial conditions. This localized calibration approach ensures that each group is calibrated according to its unique characteristics, improving overall measurement accuracy.
2Measurement precision
If multiple calibrations are applied to different ion groups, then the calibration accuracy improves, but the processing time and computational complexity increase
Solution Approach 1:
The patent performs preliminary classification of ions into groups based on their attributes before the calibration process. By pre-organizing ions into distinct groups with similar characteristics, the system prepares the data structure in advance, which facilitates more efficient calibration processing. This preliminary action reduces the computational burden during the actual calibration phase compared to processing all ions individually or without pre-grouping.
Data Source
AI summary
A method comprises measuring a first physico-chemical property of analyte ions so as to produce a data set, and identifying a first group of analyte ions within the data set. Analyte ions within the first group each have a value of an attribute that corresponds to a first value or that is within a first range of the attribute. The method further comprises selecting, from a plurality of different calibrations, a first calibration associated with the first value or first range of the attribute, and calibrating the measured first physico-chemical property of the first group of analyte ions using the first calibration.