Mass Spectrometry Data Processing Apparatus and Method
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Solution Overview
Problem
In two-dimensional mass spectrometry, selecting peaks of interest from numerous mass spectra is laborious and often fails to identify the intended mass range due to low signal-to-noise ratios and presence of spike noise, making it difficult to focus on peaks corresponding to locally present substances.
Innovation Solution
A mass spectrometry data processing apparatus and method that creates an average mass spectrum, extracts highest peaks, generates an intensity ratio spectrum, and selects peaks within a threshold range to easily identify peaks of interest, thereby simplifying the selection process.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If measurement time is limited to improve position resolution, then position resolution is improved, but signal-to-noise ratio deteriorates
Solution Approach 1:
The patent combines multiple mass spectra obtained from different micro areas into a single composite mass spectrum by accumulating ion signals. This merging process increases the signal-to-noise ratio while maintaining position resolution, as the accumulated spectrum represents the common characteristics across all measured positions.
Solution Approach 2:
The patent introduces a new dimension of analysis by creating a composite mass spectrum that integrates information across the two-dimensional spatial range. Instead of analyzing each micro area spectrum independently, the system accumulates signals across the entire measurement range to form a reference spectrum for comparing individual position spectra.
2Measurement precision
If operator manually selects mass range from various peaks, then mass range can be specified, but work is very laborious and time-consuming
Solution Approach 1:
The system performs automatic peak detection and mass range determination by comparing individual mass spectra with the composite mass spectrum. The apparatus automatically identifies peaks present in individual spectra but not in the composite spectrum, eliminating the need for manual operator selection and significantly reducing analysis time.
Solution Approach 2:
The patent replaces the manual mechanical process of peak selection with an automated computational system. The computer automatically detects peaks, compares spectra, and determines mass ranges using algorithms that identify peaks with higher intensity in individual spectra than in the composite spectrum, substituting human labor with automated data processing.
3Measurement precision
If operator selects peaks from vast number of mass spectra, then mass range can be identified, but procedure is very laborious and may fail to find intended mass range
Solution Approach 1:
The patent replaces the complex manual procedure of peak selection with an automated computational system that compares individual mass spectra with the composite mass spectrum. The computer automatically identifies peaks that are present in individual spectra but not in the composite spectrum, providing accurate mass range identification without requiring operator intervention.
Solution Approach 2:
The composite mass spectrum serves as an intermediary reference that facilitates automatic peak detection. By comparing individual spectra against this composite reference, the system automatically identifies peaks of interest without requiring direct manual examination of numerous individual spectra, thereby simplifying the operation while maintaining accuracy.
Data Source
AI summary
A mass spectrometry data processing apparatus includes a data analysis unit that processes a mass spectrum of each of analysis-target areas within a two-dimensional range set on a sample. The data analysis unit obtains a plurality of mass spectra each associated with position information of a corresponding one of the analysis-target areas; creates an average mass spectrum that is an average of the plurality of obtained mass spectra; extracts, for each mass range, a highest peak by comparing the plurality of obtained mass spectra with one another, and creates a maximum mass spectrum constituted by the extracted highest peaks; creates an intensity ratio spectrum indicating an intensity ratio of the average mass spectrum to the maximum mass spectrum; and selects a peak in a range of a threshold set for the intensity ratio spectrum and specifies a mass range including the peak.