Wavelet Peak Finding for Overlapping Mass Spectrum Signals

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Solution Overview

Problem

Current peak detection methods in mass spectrometry struggle to accurately identify and characterize overlapping peaks of varying widths, particularly in unpredictable scenarios such as bacterial analysis, due to limitations in adjusting parameters and recognizing wide peaks under specific patterns, leading to inconsistent results and inadequate characterization.

Innovation Solution

The method involves performing a wavelet transformation on the intensity signal to generate a wavelet space representation, identifying dominant peak widths from local maxima in the scale-space-processing response signal, and iteratively detecting peaks using these widths to generate adjusted intensity signals, allowing for the detection of multiple peaks at the same or similar m/z positions with different widths.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If traditional peak detection methods are used, then simple peaks can be detected, but overlapping peaks of varying widths cannot be accurately identified

Engineering Contradiction:
Improvepeak detection accuracyVSAvoidability to handle varying peak widths
Core Design Contradiction:
Measurement precisionVSAdaptability or versatility

Solution Approach 1:

The patent applies dynamics by making the peak detection system adaptive to varying peak widths through iterative detection. The algorithm dynamically adjusts detection parameters based on previously detected peaks, allowing it to handle overlapping peaks with different widths effectively. This is achieved through the iterative process where each detection cycle refines the parameters for the next cycle.

Inventive Principle:
Principle #15Dynamics

Solution Approach 2:

The patent employs parameter changes by modifying detection thresholds and width parameters during the iterative detection process. The system changes parameters based on the characteristics of detected peaks, allowing accurate identification of overlapping peaks with varying widths. This is evident in how the algorithm adjusts its detection criteria in subsequent iterations based on previous results.

Inventive Principle:
Principle #35Parameter changes

2Productivity

If fixed parameter detection is used, then detection speed is maintained, but detection results are inconsistent under unpredictable patterns

Engineering Contradiction:
Improvedetection speedVSAvoiddetection consistency
Core Design Contradiction:
ProductivityVSReliability

Solution Approach 1:

The patent applies preliminary action by performing an initial detection pass to identify dominant peak widths before proceeding with refined detection. This preliminary step allows the system to establish baseline parameters that improve consistency in subsequent detections while maintaining overall efficiency. The initial detection informs the parameters used in later iterative cycles.

Inventive Principle:
Principle #10Preliminary action

Solution Approach 2:

The patent implements feedback through its iterative detection mechanism where results from each detection cycle feed into the next cycle's parameter selection. This feedback loop ensures that detection consistency is improved by learning from previous detections, while the automated iterative process maintains productivity without requiring manual intervention.

Inventive Principle:
Principle #23Feedback

3Measurement precision

If manual parameter adjustment is performed, then detection accuracy improves, but automation is reduced

Engineering Contradiction:
Improvepeak characterization accuracyVSAvoidautomated detection capability
Core Design Contradiction:
Measurement precisionVSExtent of automation

Solution Approach 1:

The patent applies self-service by implementing an automated system that performs parameter selection and peak detection without manual intervention. The algorithm automatically identifies dominant peak widths and adjusts detection parameters based on the data itself, enabling full automation while maintaining high detection accuracy through intelligent self-adjustment mechanisms.

Inventive Principle:
Principle #25Self-service

Data Source

PatentUS20240331990A1Generic peak finder
Publication Date: 2024.10.03 DH TECH DEVMENT PTE
  • US20240331990A1 patent drawing
  • US20240331990A1 patent drawing
  • US20240331990A1 patent drawing

AI summary

A method for identifying peaks in a mass spectrum is provided. The method includes: accessing a mass spectrum (300), having an intensity signal, generated for analysis of a sample; performing a wavelet transformation on the intensity signal to generate a wavelet space representation (310) of the intensity signal; generating a scale-space-processing (SSP) response signal (412, 414, 416) from the wavelet space representation of the intensity signal, wherein the SSP response signal (412, 414, 416) represents the SSP response from the wavelet scale representation (310) at different wavelet scales for a particular m/z starting position (312, 314, 316); identifying a first wavelet scale for a first local maximum in the SSP response signal; based on the first wavelet scale, detect a first baseline intensity signal; subtracting the first baseline intensity signal from the intensity signal to generate a first adjusted intensity signal; and detecting one or more peaks in the first adjusted intensity signal.