Chromatogram Time Axis Correction Using Peak and Data Correspondence
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Solution Overview
Problem
Conventional methods for correcting the time axis of chromatogram data fail to accurately align retention times, especially when peak detection is insufficient or poorly separated, leading to increased processing burdens and suboptimal results.
Innovation Solution
A data processing apparatus and method that aligns the time axis of target chromatogram data with reference chromatogram data by establishing a first correspondence between detected peaks and a second correspondence between measurement values, using similarity metrics to correct the time axis, thereby reducing processing burdens and improving accuracy.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Ease of operation
If peak detection is used for time axis correction, then the correction process is simple, but peaks that are not detected cannot be corrected
Solution Approach 1:
The patent segments the time axis correction process into two distinct stages: (1) peak-based correction that uses detected peaks to establish initial correspondence, and (2) comprehensive data set correction that processes all measurement values including those not associated with detected peaks. This segmentation allows the system to leverage the simplicity of peak detection while ensuring complete coverage of all chromatogram data points.
Solution Approach 2:
The patent performs preliminary peak-based correction before conducting the comprehensive data set correction. By first establishing correspondence through detected peaks, the system creates a preliminary time axis alignment that guides the subsequent more comprehensive correction process, improving overall efficiency and accuracy.
2Reliability
If comprehensive data set correspondence is performed, then all measurement values are corrected, but processing burden increases greatly
Solution Approach 1:
The patent performs preliminary peak-based correction before conducting comprehensive data set correction. By first establishing correspondence through detected peaks, the system creates a preliminary time axis alignment that guides the subsequent more comprehensive correction process, reducing the search space and computational burden of the full data set processing.
Solution Approach 2:
The patent uses detected peaks as an intermediary to facilitate the comprehensive data set correction. The peaks serve as reference points that mediate between the raw data and the final corrected result, enabling the system to process all measurement values while leveraging the simplicity of peak-based methods to reduce overall processing complexity.
Data Source
AI summary
A processor obtains a first correspondence in which at least one reference peak detected from reference chromatogram data and at least one target peak detected from target chromatogram data are brought in correspondence with each other, obtains a second correspondence in which a reference data set included in the reference chromatogram data and a target data set included in the target chromatogram data are brought in correspondence with each other, by using a first similarity between the second correspondence and the first correspondence, and corrects a time axis of the target chromatogram data in accordance with the second correspondence.