Metabolomic Data Compilation System for Spectrometry Analysis
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Solution Overview
Problem
Conventional metabolomic data analysis systems require significant computational resources and time to handle large datasets from multiple biological samples, and they lack the ability to consolidate data across samples, leading to potential dismissal of valuable information about disease targets.
Innovation Solution
A system that automatically receives and compiles three-dimensional spectrometry data from multiple samples, converts it into two-dimensional data sets, plots, and compares them to characteristic plots of selected metabolites, allowing for a visual indication of metabolite presence across samples, thereby reducing computational burden and enabling subjective evaluation.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Productivity
If conventional file-based methods are used to handle spectrometry data from multiple biological samples, then individual sample analysis is performed, but large amounts of computing power and memory are required and data across samples cannot be compiled
Solution Approach 1:
The patent merges individual sample data files into a single compiled data structure that contains spectrometry data from multiple biological samples. This consolidation allows the system to handle multiple samples simultaneously without requiring separate file processing for each sample, thereby reducing computational resources and enabling cross-sample analysis.
Solution Approach 2:
The patent introduces a temporal dimension to data organization by sorting compiled spectrometry data based on retention time. This temporal ordering allows the system to efficiently navigate and compare data across multiple samples without requiring complex multi-dimensional searching, reducing the computational burden while maintaining comprehensive data access.
2Measurement precision
If individual sample files are analyzed independently, then sample-specific analysis is simplified, but subtle changes in metabolite composition across sample population cannot be detected
Solution Approach 1:
The patent combines individual sample analyses into a unified compiled data structure that preserves both sample-specific details and population-wide patterns. This merging enables the system to detect subtle metabolite composition changes across the sample population while maintaining the ability to perform detailed individual sample analysis, thereby improving detection accuracy without sacrificing throughput.
Solution Approach 2:
The patent implements a feedback mechanism where the compiled data structure allows continuous comparison of individual samples against the population baseline. This feedback loop enables the system to identify subtle metabolite changes that may indicate disease states or treatment effects, improving measurement precision while maintaining efficient processing through the organized data structure.
3Loss of information
If three-dimensional spectrometry data is stored and processed individually for each sample, then complete data retention is achieved, but computational resources and time are consumed excessively
Solution Approach 1:
The patent merges multiple three-dimensional spectrometry data sets into a single compiled structure that retains complete data from all samples. This consolidation maintains data completeness while enabling efficient processing through the unified structure, reducing the time required to analyze and compare samples without losing any spectral information.
Solution Approach 2:
The patent performs preliminary organization of spectrometry data by sorting and compiling it into a structured format before analysis. This preliminary action arranges the data in advance based on retention time and sample identity, eliminating the need for complex sorting and searching operations during actual analysis, thereby reducing processing time while maintaining complete data retention.
4Ease of operation
If conventional data handling methods are used, then individual file processing is straightforward, but security and audit ability are limited and data set consistency across multiple file copies is poor
Solution Approach 1:
The patent merges multiple individual data files into a single compiled data structure that maintains consistent data organization across all samples. This unified structure ensures data set consistency and improves auditability by providing a single source of truth for all spectrometry data, while the structured format remains easy to process and access.
Data Source
AI summary
The present invention generates a visual display of metabolomic data compiled by a database and associated processor. More particularly, the present invention provides a database for automatically receiving a three-dimensional spectrometry data set for a group of samples. The present invention also provides a processor device for manipulating the data sets to produce plots that are directly comparable to a plurality of characteristic plots corresponding to a plurality of selected metabolites. Furthermore, the processor device may generate a visual display indicating the presence of the selected metabolites across the group of samples. Thus, the present invention enables a user to analyze a series of complex data sets in a visual display that may indicate the presence of the selected metabolites across the group of samples. Furthermore, the visual display generated by embodiments of the present invention also expedites the subjective analysis of the spectrometry data sets.