Mass Spectrometry Peak Detection With Parallel Injection Processing
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Solution Overview
Problem
Mass spectrometry peak detection is a time-consuming process due to the sequential analysis of individual raw files for each injection, leading to prolonged wait times for experiment results.
Innovation Solution
Implementing parallel and horizontal processing of peak detection algorithms within Kubernetes containers, utilizing Linux containers and Kubernetes infrastructure to execute extraction and peak detection algorithms in separate pods, and scaling horizontally via processing nodes to increase performance.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If sequential analysis of individual raw files is used for each injection, then measurement precision is maintained, but processing time increases significantly
Solution Approach 1:
The patent divides the processing of multiple injections into separate parallel tasks, where each injection's raw file is processed independently by a dedicated worker thread. This segmentation allows simultaneous processing of multiple injections without interfering with the precision of individual peak detection, thereby reducing total processing time while maintaining measurement accuracy.
Solution Approach 2:
The patent implements continuous processing by using a queue-based system where worker threads continuously extract and process raw files as they become available. This eliminates idle time between processing steps and ensures that the useful action of peak detection continues without interruption, reducing overall processing time while maintaining precision through consistent algorithmic application.
2Productivity
If parallel processing is implemented for multiple injections, then productivity increases, but device complexity increases
Solution Approach 1:
The patent introduces a queue data structure as an intermediary between the task generator and worker threads. This queue manages the distribution of processing tasks without requiring complex synchronization mechanisms, thereby enabling parallel processing and improved productivity while keeping the system architecture relatively simple and easy to implement.
Solution Approach 2:
The patent creates multiple worker threads that are essentially copies of the same processing logic, each capable of independently processing injections. This copying approach allows parallel processing and increases productivity without requiring complex custom logic for each processing unit, thereby limiting the increase in device complexity to just the thread management overhead.
Data Source
AI summary
Disclosed herein are scientific instrument support systems, as well as related methods, computing devices, and computer-readable media. For example, in some embodiments, a scientific instrument support apparatus may include: first logic to receive, from a mass spectrometer, injections data for each of a plurality of injections associated with a sample; second logic to determine peak data for each of the plurality of injections by executing, in parallel on a node, a peak detection algorithm for each of the plurality of injections, third logic to collate the peak data for each of the plurality of injections; and fourth logic to provide the collated peak data for further processing.