Mass Spectrometry Acquisition Scheduling for Dynamic Cycle Load Balancing
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Solution Overview
Problem
Targeted mass spectrometry techniques face limitations in acquisition scheduling and throughput, particularly due to the random nature of data-dependent acquisition methods, which result in the 'missing value problem' and inefficient use of instrument resources, leading to under-sampling and over-sampling of analytes with varying elution peak widths.
Innovation Solution
A dynamic acquisition cycle period is implemented, varying over time based on the time-varying elution peak widths of target analytes, and load balancing is used to prioritize and schedule the acquisition of mass spectra, ensuring better quantitative accuracy and higher throughput by adjusting the sampling rate and acquisition cycle period accordingly.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If data-dependent acquisition (DDA) is used to select precursor ions based on intensity criteria, then instrument resources are focused on high-abundance analytes, but the random nature of selection causes the 'missing value problem' and reduces reproducibility
Solution Approach 1:
The patent implements dynamic acquisition scheduling that adapts the acquisition cycle period based on the elution characteristics of target analytes. The system transitions from static, random DDA selection to a dynamic schedule that adjusts sampling rates according to predicted elution peak widths, ensuring consistent coverage across replicates while maintaining focus on high-abundance analytes.
Solution Approach 2:
The system performs preliminary identification of target analytes and their expected elution characteristics before the actual acquisition. This pre-planning enables the creation of a predetermined acquisition schedule that ensures all target analytes are captured in every replicate, eliminating the missing value problem while maintaining quantitative accuracy.
2Productivity
If a fixed acquisition cycle period is used for all target analytes, then instrument throughput is simplified to manage, but analytes with varying elution peak widths experience under-sampling or over-sampling
Solution Approach 1:
The patent applies local quality by assigning different acquisition cycle periods to different target analytes based on their individual elution peak widths. Instead of a uniform sampling rate, the system tailors the sampling frequency to the specific characteristics of each analyte, ensuring optimal quantitative accuracy for fast-eluting analytes while maintaining efficient throughput for slow-eluting analytes.
Solution Approach 2:
The system dynamically changes the acquisition cycle period parameter based on the elution characteristics of each target analyte. The controller adjusts the sampling rate in real-time according to predicted peak widths, transforming the fixed-parameter acquisition into a variable-parameter system that optimizes both precision and throughput.
3Measurement precision
If targeted mass spectrometry schedules acquisition for multiple target analytes, then quantitative information is gathered for specific analytes, but instrument resource efficiency decreases when analytes have varying elution times
Solution Approach 1:
The patent implements a dynamic acquisition schedule that optimizes instrument resource allocation based on the elution timing of target analytes. The system uses predicted elution peak widths to adjust the acquisition cycle period, concentrating instrument resources during periods when multiple analytes are eluting and reducing sampling during periods with fewer active targets, thereby improving both quantitative quality and throughput.
Data Source
AI summary
A computing device for mass spectrometry generates an acquisition schedule that schedules acquisition, by a mass spectrometer, of a set of mass spectra for each target analyte included in a plurality of target analytes included in a sample as the plurality of target analytes elute from a separation system. The acquisition schedule specifies a dynamic acquisition cycle period that varies over time. The computing device further directs the mass spectrometer to acquire the mass spectra in accordance with the acquisition schedule. In some examples, an acquisition schedule is generated by identifying an analyte group corresponding to each analyte included in a list of analytes estimated to be present in the sample and selecting, from the list of analytes, the set of target analytes based on selection criteria and the analyte group corresponding to each respective analyte included in the list of analytes.