Acquisition-Stage Peak Width Estimation for Real-Time Mass Analysis
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Solution Overview
Problem
Conventional mass spectrometry systems require long processing times and large data storage to determine peak width, which is typically done post-acquisition, and often assume constant peak widths across samples, leading to inaccurate results when peak widths vary.
Innovation Solution
An acquisition-stage peak width determination process that calculates peak width in real-time using multi-dimensional data, allowing for independent computation in each axis and using Gaussian profile analysis to estimate full width at half maximum (FWHM), with optional baseline offset estimation for improved accuracy.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If peak width is determined post-acquisition using conventional techniques, then measurement precision is improved, but loss of time increases and productivity decreases
Solution Approach 1:
The patent applies preliminary action by performing peak width estimation during the data acquisition phase itself, rather than waiting until post-acquisition processing. The system estimates peak widths for all detected peaks as data is being collected, using a preliminary estimation algorithm that provides sufficiently accurate results for real-time applications, thereby eliminating the time delay of separate post-processing steps
Solution Approach 2:
The patent implements partial action by using a simplified peak width estimation method during acquisition that is less computationally intensive than full post-acquisition analysis. The system performs rough peak width estimation using available acquisition-stage data without requiring complete dataset processing, providing adequate precision for real-time control while reducing computational burden and processing time
2Measurement precision
If peak width is determined post-acquisition, then measurement precision is improved, but device complexity increases due to large data storage requirements
Solution Approach 1:
By performing peak width estimation during data acquisition rather than after complete data collection, the system eliminates the need to store entire large datasets for subsequent processing. The preliminary estimation uses data as it becomes available, requiring minimal storage capacity while maintaining sufficient measurement precision for real-time applications
Solution Approach 2:
The patent extracts only the essential information needed for peak width determination during acquisition, rather than retaining complete raw datasets. The system processes and extracts peak width parameters incrementally as data is collected, removing the burden of storing and managing large volumes of original data while preserving the critical measurement information
3Device complexity
If constant peak width is assumed across samples, then device complexity is reduced, but measurement precision deteriorates when peak widths vary
Solution Approach 1:
The patent implements dynamics by transitioning from static constant peak width assumptions to dynamic, sample-specific peak width estimation. The system continuously estimates peak widths for each individual sample or peak during acquisition based on actual observed data characteristics, allowing peak width parameters to adapt and vary according to the specific properties of each analyte rather than applying a uniform constant value
Solution Approach 2:
The patent applies local quality by determining peak width parameters locally for each individual peak or sample rather than applying a global constant value. The system estimates peak width specific to each detected peak's local characteristics, allowing different regions of the chromatogram or spectrum to have their own optimized peak width parameters, thereby improving measurement precision for samples with varying peak widths
Data Source
AI summary
Techniques and apparatus for an acquisition-stage peak width determination process are described. In one embodiment, for example, an apparatus may include at least one memory, and logic coupled to the at least one memory. The logic may be configured to implement an acquisition-stage peak width determination process operative to access acquisition-stage analytical information comprising at least one sequence of data points, determine a peak data point associated based on the peak data point meeting a plurality of acquisition-stage conditions, and determine the acquisition-stage peak width associated with the peak data point. Other embodiments are described.