Chromatograph Data Processor Modulation Time Estimation
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Solution Overview
Problem
In comprehensive two-dimensional chromatography, analysts must manually input modulation time information for data processing, which is error-prone and complicates the data processing workflow.
Innovation Solution
A data processing apparatus that estimates modulation time from the regularity of peak appearance in one-dimensional chromatogram data, using correlation analysis between the original and time-shifted chromatograms to automate the modulation time determination.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If manual input of modulation time information is required for data processing, then data processing accuracy can be maintained through analyst verification, but analyst workload increases and error probability rises
Solution Approach 1:
The system automatically extracts modulation time information from the chromatogram data itself through correlation analysis, eliminating the need for manual analyst input. The data processes itself by identifying periodic patterns and calculating modulation time from peak appearance regularity, thereby maintaining accuracy while simplifying the workflow.
Solution Approach 2:
The modulation time information is extracted and prepared in advance during the data processing stage rather than requiring manual input at the analysis stage. The system performs preliminary correlation analysis on the chromatogram data to determine modulation time before creating two-dimensional chromatograms, reducing analyst workload.
2Productivity
If modulation time is automatically estimated from chromatogram data, then analyst effort is reduced and errors are minimized, but data processing complexity increases
Solution Approach 1:
The manual mechanical process of analyst verification and input is replaced with an automated computational system using correlation analysis. The algorithm substitutes the analyst's manual work by automatically detecting periodic patterns in peak appearance and calculating modulation time through mathematical correlation between original and time-shifted chromatograms.
Solution Approach 2:
The system creates a time-shifted copy of the chromatogram data and compares it with the original to detect periodic patterns. By copying the data at different time shifts and calculating correlation coefficients, the system automatically determines modulation time without manual intervention, enhancing productivity through automated pattern recognition.
Data Source
AI summary
In a GC×GC data processor (23), a modulation time estimation unit (24) creates a one-dimensional chromatogram from chromatogram data items collected by a comprehensive two-dimensional GC, and retrieves a shift time on which a peak position after an entire curve of the chromatogram being shifted in a temporal axis direction coincides with a peak position of the peak on the original chromatogram. Since the resolution of a primary column (12) is low, the same compound is introduced into a secondary column (14) in consecutive modulation times. Accordingly, on the one-dimensional chromatogram, peaks originating from the same compound appear in the respective consecutive modulation times. The interval between the peaks substantially coincides with the modulation time. Therefore, the shift time retrieved as described above is regarded as the modulation time. Thus, the modulation time is automatically estimated from the chromatogram data items, thereby negating the need of user input or capture from an analysis control unit (3).