Chromatography Data Filtering for Non-Uniform LC-MS Scan Times

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Solution Overview

Problem

Conventional chromatography data filters applied to non-uniform data sampling intervals in liquid chromatography-mass spectrometry (LC-MS) produce unstable and unpredictable results due to irregularities in filter response, limited adaptability to dynamic changes, and ineffective noise reduction.

Innovation Solution

A chromatographic data filter operating on a time base shorter than the shortest data sampling interval, employing interpolation to ensure accurate sampling and filtering of data points, thereby enhancing signal-to-noise ratio and peak stability.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If conventional chromatography data filters are applied to non-uniform data sampling intervals, then the filter can process the data, but the results become unstable and unpredictable due to irregularities in filter response

Engineering Contradiction:
Improvefilter response stabilityVSAvoidadaptability to non-uniform sampling
Core Design Contradiction:
ReliabilityVSAdaptability or versatility

Solution Approach 1:

The filter dynamically adapts its time base to match the actual data sampling intervals. Instead of using a fixed time base, the filter calculates the actual time between successive data points and adjusts its filtering operations accordingly, allowing it to handle non-uniform sampling intervals while maintaining stable and predictable filter response.

Inventive Principle:
Principle #15Dynamics

Solution Approach 2:

The filter changes its operational parameters (time base) based on the input data characteristics. By calculating the actual sampling intervals from the non-uniform data and using these to determine the filter's time base, the filter transforms from a static system to one that adapts its parameters to match the data, resolving the contradiction between reliability and adaptability.

Inventive Principle:
Principle #35Parameter changes

2Object-affected harmful factors

If conventional filters with fixed time base are used, then the filter structure is simple, but the noise reduction is ineffective for non-uniform sampling intervals

Engineering Contradiction:
Improvebaseline noiseVSAvoidfilter time base calculation
Core Design Contradiction:
Object-affected harmful factorsVSDevice complexity

Solution Approach 1:

The filter serves itself by automatically determining its own time base from the input data sampling intervals. Rather than requiring external configuration or complex adaptive algorithms, the filter calculates its operational parameters directly from the data it receives, making the system self-adjusting while maintaining relative simplicity.

Inventive Principle:
Principle #25Self-service

3Measurement precision

If the filter time base is larger than data sampling intervals, then the filter operates simpler, but the signal-to-noise ratio improvement is limited

Engineering Contradiction:
Improvesignal-to-noise ratioVSAvoidtime base smaller than sampling interval
Core Design Contradiction:
Measurement precisionVSDevice complexity

Solution Approach 1:

The filter uses a dynamic time base that is always smaller than the minimum data sampling interval. This allows the filter to operate at a finer temporal resolution than the input data, enabling more effective noise reduction while maintaining computational feasibility through its adaptive nature.

Inventive Principle:
Principle #15Dynamics

Data Source

PatentUS20250371022A1Real-time chromatography data filter for experiments with non-uniform times
Publication Date: 2025.12.04 THERMO FINNIGAN LLC
  • US20250371022A1 patent drawing
  • US20250371022A1 patent drawing
  • US20250371022A1 patent drawing

AI summary

Systems and methods taught herein enable improved filtering of chromatography data acquired during a series of scans with non-uniform data sampling intervals (also referred to herein as “scan durations”) by use of a chromatography data filter that operates on a time base that is shorter than any of the data sampling intervals in the series of scans. By employing a filter with such a time base, the systems and methods taught herein improve the signal-to-noise ratio (S/N) of the resulting data and enhance the quality of chromatograms in mass spectrometry real-time signal processing, leading to clearer signals, reduced baseline noise, and smoother peaks in the chromatographic data.