Sub-pixel Peak Intensity Determination in Echelle Spectrometry

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Solution Overview

Problem

Optical spectrometry, particularly echelle spectroscopy, faces challenges in accurately determining peak intensity due to drift caused by temperature variations, which leads to incorrect peak identification and measurement errors, especially when pixel size limitations and mechanical adjustment methods are insufficiently accurate.

Innovation Solution

A method that uses a two-dimensional detector array to produce a spectrum array, selects subarrays around reference and target peaks, interpolates spectrum values to determine peak locations with sub-pixel accuracy, and adjusts subarray positions to accurately measure peak intensities without requiring slit scanning or sophisticated temperature control systems.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Ease of operation

If pixel size steps are used to measure offset in optical spectrum, then the measurement process is simple, but the accuracy of offset determination is limited

Engineering Contradiction:
Improvesimplicity of offset measurementVSAvoidaccuracy of offset determination
Core Design Contradiction:
Ease of operationVSMeasurement precision

Solution Approach 1:

The patent divides the spectrum into multiple subarrays, with each subarray containing a reference peak and one or more target peaks. This segmentation allows independent processing of spectral regions while maintaining overall coherence, enabling accurate offset determination through local peak positioning within subarrays rather than relying on pixel-size limited global measurements.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The patent replaces mechanical offset adjustment methods with a computational approach using interpolation algorithms. Instead of physically adjusting the spectrometer or using mechanical stage movements to compensate for drift, the system uses mathematical interpolation to calculate precise peak locations and determine offsets, eliminating mechanical limitations and achieving sub-pixel accuracy.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

2Reliability

If mechanical adjustment is used to correct drift, then the spectral lines can be realigned, but the process becomes cumbersome and slow

Engineering Contradiction:
Improveaccuracy of peak identificationVSAvoidtime for drift correction
Core Design Contradiction:
ReliabilityVSLoss of time

Solution Approach 1:

The patent replaces mechanical drift correction with computational interpolation. Instead of physically adjusting the spectrometer components to realign spectral lines, the system uses interpolation algorithms to calculate and compensate for drift effects in the data processing stage, achieving real-time correction without mechanical movement.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

Solution Approach 2:

The patent performs preliminary determination of reference peak locations and offset calculations before processing target peaks. By pre-establishing the offset using reference peaks within subarrays, the system prepares correction data in advance, allowing rapid application to multiple target peaks without repeated mechanical adjustment.

Inventive Principle:
Principle #10Preliminary action

3Measurement precision

If slit scanning is used to achieve sub-increments smaller than pixel size, then the measurement precision improves, but the device complexity increases due to requiring accurate stepper motors

Engineering Contradiction:
Improveresolution smaller than pixel sizeVSAvoidcomplexity of stepper motor system
Core Design Contradiction:
Measurement precisionVSDevice complexity

Solution Approach 1:

The patent replaces the mechanical slit scanning system with a computational interpolation approach. Instead of physically moving a slit through the spectrum using stepper motors, the system uses mathematical interpolation to achieve sub-pixel resolution by calculating peak positions and intensities at fractional pixel locations, eliminating the need for complex mechanical positioning systems.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

Solution Approach 2:

The patent creates a computational copy of the spectrum through interpolation, generating a refined spectral representation that contains sub-pixel information. This interpolated copy allows measurement at resolutions finer than the physical pixel size without requiring physical movement, effectively copying the spectral information at higher resolution through data processing rather than mechanical means.

Inventive Principle:
Principle #26Copying

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

This approach enhances the accuracy of peak location and intensity determination, reduces rounding errors, and minimizes the impact of drift, allowing for reliable peak identification without the need for complex mechanical adjustments or reference light sources.

Implementation Method 1

imaging the optical spectrum onto a detector array to produce a two-dimensional array of spectrum values

Methodology Applied
Scientific EffectPhotoelectric Effect: Photoelectric Effect

Data Source

PatentUS12163837B2Peak determination in two-dimensional optical spectra
Publication Date: 2024.12.10 THERMO FISHER SCI BREMEN
  • US12163837B2 patent drawing
  • US12163837B2 patent drawing
  • US12163837B2 patent drawing

AI summary

A method of determining a peak intensity in an optical spectrum is described. The method includes producing a two-dimensional array of spectrum values by imaging the optical spectrum onto a detector array. An offset using an actual location and an expected location of a peak of an interpolated subarray is used to adjust an expected location of another peak that is within another two-dimensional subarray. Interpolated spectrum values are then used to produce a peak intensity value of the second peak.