X-ray Spectral Deconvolution Using Measured Reference Profiles
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Solution Overview
Problem
Existing methods for analyzing X-ray spectra, such as X-ray fluorescence, face challenges in obtaining accurate quantitative measurements due to instrument function influences and unknown physical effects, leading to insufficiently accurate results from spectral deconvolution using analytical functions.
Innovation Solution
A method that fits the measured X-ray spectrum to a combination of calculated functions and measured profiles, allowing for the representation of additional physical effects and energy shifts, which are derived from reference spectra of samples under similar conditions, improving the accuracy of spectral representation and deconvolution.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Ease of operation
If spectral deconvolution using analytical functions is used, then the measurement process can be simplified, but the accuracy of quantitative measurement deteriorates due to unknown physical effects and instrument function influences
Solution Approach 1:
The patent creates measured profiles from reference spectra that copy the actual instrument response and physical effects present in real measurements. These measured profiles serve as templates that are then fitted to unknown spectra, accurately reproducing the instrument function and unknown physical effects without requiring detailed theoretical models.
Solution Approach 2:
The patent transforms the fitting approach by changing from fitting theoretical parameters of analytical functions to fitting empirical parameters of measured profiles. The measured profiles contain encoded information about instrument response and physical effects, and fitting these profiles with scaled factors extracts accurate quantitative information while bypassing the need for complex theoretical modeling.
2Measurement precision
If detailed knowledge of detector responses and emission intensities is obtained, then the accuracy of spectral deconvolution is improved, but the complexity of the analysis method increases
Solution Approach 1:
The patent enables the measurement system to self-characterize by automatically generating measured profiles from reference spectra obtained under known conditions. The system uses these self-generated profiles to correct subsequent measurements, eliminating the need for external detailed knowledge of detector responses and making the method self-calibrating and easier to implement.
Solution Approach 2:
The patent performs preliminary measurements on reference samples with known compositions to generate measured profiles that encapsulate instrument response characteristics. These pre-obtained profiles are then reused for analyzing unknown samples, avoiding the need to perform complex theoretical calculations or obtain detailed detector characterization for each measurement.
3Measurement precision
If measured profiles from reference spectra are incorporated into the fitting process, then the accuracy of spectral representation is improved, but the time required for spectral analysis increases
Solution Approach 1:
The patent performs the time-consuming task of measuring and processing reference spectra to generate measured profiles in advance. These pre-computed profiles capture the instrument response characteristics and can be reused for multiple sample analyses, amortizing the initial time investment across many subsequent measurements and reducing the per-sample analysis time.
Data Source
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AI summary
A method of analysis of X-ray spectra in an instrument fits a measured sample spectrum using a combination of at least one measured reference spectrum with at least one calculated function. The method includes measuring a reference spectrum as a plurality of measured values Rpr(i) for a plurality of energy bins i from at least one reference sample; selecting npr region or regions of interest indexed by j corresponding to a plurality of bins i and recording the profile Rprji for the respective plurality of bins from the measured reference spectrum, where npr is a positive integer; measuring a sample spectrum as a plurality of intensity values Rspe(i) for a plurality of energy bins i; and fitting the measured sample spectrum Rspe(i) to a fit function including the at least one profile Rprji in at least one respective region of interest as well as at least one calculated function Rgrji.