Mass Analysis Data Analyzer for Isotopic Cluster Identification
Find Innovative SolutionsGenerate Solutions
Solution Overview
Problem
Conventional mass analysis data analyzing methods require long analysis times and cannot perform dynamic data-dependent acquisition (DDA) functions online, as they are designed for offline analysis and lack the capability to quickly determine the valence of ion peaks and identify monoisotopic peaks in mass spectra.
Innovation Solution
A mass analysis data analyzing apparatus that converts profile data into centroid data, using a data analyzer with components like a standard peak specifier, pattern matcher, isotopic cluster identifier, peak valence determiner, and monoisotopic peak identifier to quickly identify isotopic clusters and determine peak valence, enabling online analysis and reducing analysis time.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If conventional profile data analysis methods are used, then accurate isotopic cluster identification is achieved, but analysis time becomes excessively long
Solution Approach 1:
The patent segments the complex profile data into simplified centroid data points, where each peak is represented by its centroid position and intensity. This segmentation reduces the data complexity from continuous profile curves to discrete points, enabling faster processing while maintaining the essential information needed for isotopic cluster identification
Solution Approach 2:
The patent extracts only the critical features from the profile data - specifically the centroid positions and intensities of peaks - and discards the redundant continuous profile information. This extraction creates a simplified centroid dataset that retains the necessary information for accurate isotopic cluster identification while dramatically reducing computational requirements
2Reliability
If offline analysis methods are used, then comprehensive data processing is achieved, but real-time online analysis capability is lost
Solution Approach 1:
The patent changes the data representation parameters from continuous profile data to discrete centroid data with specific mathematical properties. This parameter transformation enables the development of efficient algorithms that can process data in real-time during mass spectrometry acquisition, bridging the gap between comprehensive offline analysis and real-time online analysis
3Measurement precision
If complex pattern recognition algorithms are applied to profile data, then accurate valence determination is achieved, but processing speed decreases
Solution Approach 1:
The patent segments the complex pattern recognition problem into simpler sub-problems by working with discrete centroid data points rather than continuous profiles. This allows for the development of efficient algorithms that can quickly determine valence by comparing spacing patterns between centroid points, maintaining accuracy while dramatically improving processing speed
Solution Approach 2:
The patent replaces the computationally intensive mechanical processing of continuous profile data with a more efficient system that operates on discrete centroid data. This substitution uses simpler mathematical operations on structured data points, achieving the same analytical goals with much lower computational overhead
Data Source
AI summary
In a mass analysis data analyzing apparatus, centroid data is used as mass spectrum data to be analyzed. First, peaks on the centroid data are specified in order of intensity as a standard peak for identifying an isotopic cluster. The isotopic cluster is detected by comparing an emerging pattern of peaks near the standard peak and an emerging pattern of peaks of an expected isotopic cluster in the case where each valence is assumed. The valence of the determined isotopic cluster is set as the valence of the peaks belonging to the isotopic cluster, and the peak at the forefront of cluster is selected as a monoisotopic peak. With such a mass analysis data analyzing apparatus, it is possible to determine the valence of each peak and identify the monoisotopic peak in a mass spectrum.