Chromatogram Coelution Peak Identification via Mass Spectrometry Data
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Solution Overview
Problem
In chromatograph analysis, identifying coelution peaks on chromatograms is challenging due to overlapping peaks, even with additional mass spectrometry data, making it difficult for users to visually recognize excellent separation methods.
Innovation Solution
A data processing system that integrates mass spectrometry and detector data to create chromatograms, identifying coelution peaks by associating peak portions and displaying them differently from other peaks, allowing users to easily recognize coelution peaks through distinct visual cues.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Loss of information
If mass spectrometry data is added to chromatogram to provide additional information for peak identification, then the information completeness is improved, but the visual recognizability of coelution peaks deteriorates
Solution Approach 1:
The patent applies color changes by displaying coelution peaks in a distinct color (e.g., red) different from normal peaks (e.g., blue or black). This visual differentiation allows users to immediately identify coelution peaks on the chromatogram without being overwhelmed by additional mass spectrometry data, thus maintaining visual recognizability while providing complete information.
Solution Approach 2:
The patent adds a visual dimension (color) to the chromatogram display to encode information about coelution status. Instead of relying solely on the traditional intensity dimension of the chromatogram, the system uses color as an additional dimension to convey whether a peak is a coelution peak, making the information easily perceivable at a glance.
2Loss of information
If multiple chromatograms are displayed for comparison to evaluate separation performance, then the information completeness is improved, but the ease of operation deteriorates
Solution Approach 1:
When multiple chromatograms are displayed for comparison, the patent consistently applies color coding across all chromatograms to indicate coelution peaks. This allows users to quickly scan multiple chromatograms and identify separation performance differences without manually examining each peak, significantly improving ease of operation while maintaining complete information.
Solution Approach 2:
The patent segments the visual information by clearly distinguishing coelution peaks from normal peaks through color coding. This segmentation allows users to focus on the critical information (coelution status) rather than analyzing entire chromatograms, making the comparison of multiple chromatograms more efficient and easier to operate.
3Measurement precision
If detailed mass spectrometry data is provided for each peak to enable accurate identification, then the measurement precision is improved, but the device complexity increases
Solution Approach 1:
The patent extracts only the essential information needed for peak identification (coelution status) and presents it through simple color coding on the chromatogram. Detailed mass spectrometry data is processed in the background to determine coelution status, but only the critical result is displayed visually, reducing the perceived complexity while maintaining measurement precision.
Solution Approach 2:
The patent introduces an intermediary processing step where mass spectrometry data is analyzed to determine coelution status, and this intermediate result (color-coded indication) is then displayed on the chromatogram. This intermediary approach simplifies the interface between complex mass spectrometry data and the user, maintaining precision while reducing complexity.
Data Source
AI summary
A data processing system (1) including a data holder (8) that holds analysis data including mass spectrometry data acquired by a mass spectrometer (100) in an analysis of a sample using a chromatograph mass spectrometer and measurement data acquired by a detector, that is not mass spectrometer, in the analysis of the sample, a data processor (10) configured to perform data processing by using the analysis data held in the data holder (8), and an information displayer (12) configured to display data processed by the data processor (10). The data processor (10) is configured to create a chromatogram based on the measurement data, and identify a peak portion in which peaks of a plurality of components overlap to form one peak shape among peak portions on the chromatogram as a coelution peak by using a correspondence relationship between the chromatogram and the mass spectrometry data, and when displaying the chromatogram, the information displayer (12) is configured to display a peak portion identified as the coelution peak by the data processor (10) in a mode different from that of another peak portion.