Chromatography Peak Model Transformation for Resolution
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Solution Overview
Problem
Current methods for processing chromatographic data, particularly mass chromatographic data, face limitations in resolving and identifying eluted compounds, leading to insufficient resolution and increased complexity in processing.
Innovation Solution
A method involving the measurement of spectroscopic data from chromatography devices, peak identification, model peak transformation, and grouping of peaks within specific time periods to enhance resolution, which includes discarding non-compound-related peaks, transforming peaks into model peaks centered on elution times, and combining these to create a new chromatogram for improved compound identification.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If traditional mass chromatogram analysis methods are used to identify eluting compounds, then the detection of difficult-to-resolve compounds is enabled, but the resolution and clarity of compound identification remains insufficient
Solution Approach 1:
The patent segments the complex mass chromatogram data into individual peak representations. Each peak is extracted and transformed into a model peak with defined parameters (amplitude, width, position), separating the identification of individual compounds from the complex mixture analysis, thereby improving resolution while managing processing complexity through systematic decomposition
Solution Approach 2:
The patent transforms raw peak data into model peaks by changing parameters such as amplitude, width, and position. This parameter transformation allows for standardized representation of peaks and facilitates comparison and identification, improving measurement precision through normalized parameter sets that can be systematically analyzed
2Measurement precision
If multiple mass spectra are acquired at high repetition rate to exceed elution period, then mass chromatograms can be generated for difficult compound detection, but the resolution of co-eluting compounds remains insufficient
Solution Approach 1:
The patent performs preliminary peak identification and model transformation on the mass chromatogram data before full compound identification. By pre-processing the data to extract peak parameters and create model representations, the system prepares the data structure in advance, enabling more efficient subsequent analysis and improving resolution without proportionally increasing processing throughput requirements
Solution Approach 2:
The patent creates model peaks as simplified copies or representations of the actual chromatographic peaks. These model peaks contain the essential parameters (amplitude, width, position) needed for identification but are computationally simpler to handle, allowing high-resolution analysis while maintaining reasonable processing throughput through efficient data representation
3Measurement precision
If peak data is processed with detailed analysis to improve compound identification, then resolution is enhanced, but processing complexity increases
Solution Approach 1:
The patent transforms complex peak data into standardized model peaks with defined parameters (amplitude, width, position). This parameter standardization simplifies the data structure while maintaining identification accuracy, reducing processing complexity through normalized parameter sets that can be systematically compared and analyzed without requiring complex algorithms
Solution Approach 2:
The patent discards redundant or less significant peak parameters during the model transformation process, retaining only the essential parameters needed for compound identification. This selective data retention reduces processing complexity by eliminating unnecessary computational steps while preserving the critical information needed for accurate peak identification
Data Source
AI summary
A method of and apparatus for improving the resolution of compounds eluted from a separation device are disclosed, particularly suited for use in the fields of gas or liquid chromatography. Embodiments of the invention provide that spectroscopic data are measured from an effluent eluted from a chromatography device as a function of elution time; peaks in intensity are identified to form a first set of identified peaks; peaks not due to an eluting compound are discarded from the first set of identified peaks thereby forming a second set of identified peaks from those retained; each peak in the second set of peaks is transformed into a first model peak centered on the elution time of each peak in the second set of peaks; some or all the model peaks created are added together to create a new chromatogram; and all identified peaks in intensity in the second set of peaks having elution times within a given time period of identified peaks in intensity in the new chromatogram are grouped together and assigned to a single eluted compound thereby forming a processed data set.