Mass Spectrometer Data Collection Using Dynamic Tree Structures
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Solution Overview
Problem
Mass spectrometry systems face significant challenges in efficiently processing and storing large volumes of data from recursive scans, leading to increased processor resource demands and potential missed scanning opportunities due to the need for extensive post-scan compression of data arrays.
Innovation Solution
A method utilizing a data collection system with a tree or array structure in volatile or persistent memory, where data records with unique identifiers and counters are updated or created based on received mass-related data signals, allowing for efficient storage and processing of data without the need for extensive compression during recursive scans.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If a large array data structure with hundreds of thousands of bins is used to store the complete spectrum range, then all possible mass-to-charge ratios can be detected and stored, but memory usage increases dramatically and post-scan compression requires extensive processor resources and time
Solution Approach 1:
The patent extracts only the detected mass-to-charge ratios from the complete spectrum range and stores them in a compressed data structure. Instead of maintaining an array for all possible bins, the system creates a condensed representation containing only those m/z values that were actually detected during the scan, eliminating the need to store hundreds of thousands of empty or zero-value bins.
Solution Approach 2:
The patent changes the data structure parameters from a fixed-size array covering the entire spectrum range to a dynamic compressed structure that adapts to the actual detected data. This transformation reduces the data size from potentially hundreds of thousands of bins to a much smaller set containing only detected ions, significantly reducing memory and processing requirements.
2Quantity of substance
If post-scan compression is performed on large data arrays from multi-segment recursive scans, then memory usage is reduced, but processor resource demands increase and time between scans increases
Solution Approach 1:
The patent performs compression actions during or immediately after each individual scan segment rather than waiting until all segments are complete. By progressively compressing data as it is acquired from each segment, the system avoids the need for extensive post-processing of accumulated multi-segment data, reducing the time penalty associated with compression operations.
Solution Approach 2:
The patent maintains continuous data acquisition and processing operations without interruption. By overlapping scan acquisition with compression operations and avoiding idle time between scans, the system ensures that the mass spectrometer is continuously productive, maximizing instrument utilization and minimizing lost scanning opportunities.
3Adaptability or versatility
If the data collection array is maintained to accommodate the largest possible spectrum range, then all compounds of interest can be captured, but the processing time and computational resources required increase significantly
Solution Approach 1:
The patent segments the complete spectrum range into multiple acquisition segments that can be processed individually. Each segment covers a portion of the total m/z range and can be compressed and stored separately, reducing the complexity of handling the complete spectrum at once while maintaining the ability to detect compounds across the full range through systematic segment acquisition.
Data Source
AI summary
Systems, methods, and computer programming for collecting data using a mass spectrometer comprising a particle detector or other mass analyzer. A data collection such as a tree or array structure which includes data records for storing detected data is maintained in volatile or persistent memory. Data is received from the mass analyzer. Whether the collection contains data records corresponding to newly-acquired data signals is determined. If the collection does not contain records corresponding to the newly-received records, a new record is added. In either case, the record corresponding to the received data record is updated to reflect reception of the newly-acquired signal.