Chromatogram Data Processing for Mass Spectrometry
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Solution Overview
Problem
Conventional chromatograph tandem quadrupole mass spectrometers face challenges in accurately determining continuous peak curves and performing peak-waveform processing when chromatogram peaks span across segment boundaries, leading to incomplete data processing and reduced reliability in quantitative analysis.
Innovation Solution
A data-processing system that stores mass spectrometric measurement conditions for each segment, determines identical parameter values across neighboring segments, and connects partial chromatograms to create a continuous chromatogram, ensuring accurate peak processing and identification regardless of event numbers.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If the chromatogram peak spans across segment boundaries with different event numbers, then the data processing becomes fragmented and incomplete, but the system can still collect data in each segment independently
Solution Approach 1:
The patent merges partial chromatograms from multiple segments into a single continuous chromatogram. The data processing unit combines peak data that spans across segment boundaries by identifying corresponding peak portions in different segments and integrating them, thereby recovering complete peak information that would otherwise be fragmented and lost.
2Productivity
If the system uses different event numbers for neighboring segments, then each segment can be processed independently, but the continuous peak curve cannot be determined across segment boundaries
Solution Approach 1:
The patent introduces an intermediary data processing unit that acts as a mediator between segments with different event numbers. This unit identifies peak portions in each segment, matches them based on retention time and mass spectral characteristics, and reconstructs the continuous peak curve, thereby enabling accurate peak determination across segment boundaries while maintaining independent processing efficiency.
3Productivity
If the chromatogram is divided into multiple segments for data collection, then the measurement can be conducted efficiently, but peaks spanning segment boundaries result in missing portions and incorrect waveform processing
Solution Approach 1:
The patent applies preliminary action by pre-identifying and marking peak portions in each segment during the data collection phase. The data processing unit prepares the partial chromatogram data with metadata indicating peak start and end positions, enabling subsequent seamless reconstruction of continuous peaks without requiring re-measurement, thus maintaining measurement efficiency while ensuring processing accuracy.
Data Source
AI summary
In processing chromatographic data, collected by performing a measurement for each of the segments which respectively define time ranges, a system determines whether there is any boundary sandwiched between two temporally continuous segments whose measurement modes are the same and which has the same m/z value designated by an operator to be displayed. If such a boundary exists, the measurement mode common to the two neighboring segments across that boundary is identified, and the system determines whether the parameter values corresponding to that measurement mode are the same. If they are the same, the partial chromatograms corresponding to the two segments show a temporal change in the intensity of the same kind of ion. Accordingly, the two neighboring measurement points across the boundary are connected by interpolation to create a chromatogram with no missing portion.