X-ray Fluorescence Spectrometer Overlapping Peak Analysis
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Solution Overview
Problem
Existing X-ray fluorescence spectrometry methods face challenges in accurately analyzing samples with overlapping energy regions, as different measurement conditions result in varying fluorescent X-ray intensities, making it difficult to calculate the content of elements when the same X-ray fluorescence peak is present in multiple spectra, and neglecting background components can lead to inaccurate analysis.
Innovation Solution
A quantitative analysis method that involves acquiring multiple spectra under different conditions, designating primary and secondary spectra, and performing fittings to calculate background intensity and content, ensuring that the theoretical profile fits the peaks in each spectrum, considering the influence of background components.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Adaptability or versatility
If multiple spectra are acquired under different measurement conditions to improve element detection coverage, then the ability to detect different elements is improved, but the complexity of fitting and calculating element contents deteriorates when peaks overlap
Solution Approach 1:
The patent segments the fitting process into distinct stages: first fitting peaks in the secondary spectrum to determine background components, then using those background components as constraints in the second fitting of the primary spectrum. This segmentation transforms a complex simultaneous multi-peak fitting problem into sequential, manageable steps, reducing computational complexity while maintaining accurate element detection across multiple spectra
Solution Approach 2:
The patent performs preliminary fitting on the secondary spectrum to calculate background component intensities before conducting the main fitting on the primary spectrum. By determining background characteristics in advance, the method prepares constraint conditions that simplify the subsequent primary spectrum fitting, reducing the overall computational burden while improving accuracy in overlapping peak regions
2Measurement precision
If all peaks from multiple spectra are used for content calculation to improve measurement accuracy, then the precision of element content determination is improved, but the reliability deteriorates when background components are not properly considered
Solution Approach 1:
The patent introduces background component intensities as intermediary parameters that mediate between the secondary spectrum peaks and the primary spectrum analysis. These background components serve as connecting elements that account for overlapping peak influences, allowing accurate utilization of multiple spectra while maintaining reliability by properly modeling background contributions in the fitting process
Solution Approach 2:
The patent implements a feedback mechanism where the fitting results from the secondary spectrum (background component intensities) are fed back as constraint conditions for the primary spectrum fitting. This feedback loop ensures that background influences are consistently accounted for across all spectra, improving both measurement precision and reliability by iteratively refining the element content calculations based on accumulated spectral information
3Productivity
If a simple fitting method is used to reduce processing time, then the productivity is improved, but the measurement precision deteriorates in overlapping energy regions
Solution Approach 1:
The patent segments the quantitative analysis into two sequential fitting operations rather than attempting a single complex simultaneous fit. The first fitting on the secondary spectrum quickly determines background components, and the second fitting on the primary spectrum uses these pre-determined constraints. This segmentation maintains high processing speed while achieving accurate results in overlapping peak regions by breaking down the computational complexity into manageable stages
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 method enables highly accurate quantitative analysis by accounting for background influences and achieving a theoretical profile that fits the X-ray fluorescence peaks in each spectrum, even when the same peak is present across multiple spectra, thereby improving analysis accuracy.
Implementation Method 1
An X-ray fluorescence spectrometry is a method of irradiating a sample with primary X-rays to analyze elements contained in the sample based on energy of emitted fluorescent X-rays
Implementation Method 2
a detector configured to measure energies and intensities of the emitted fluorescent X-rays
Data Source
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Figure 3(a)~3(b)
AI summary
Provided are a quantitative analysis method, a quantitative analysis program, and an X-ray fluorescence spectrometer, which are capable of performing a highly accurate quantitative analysis. The quantitative analysis method, which is performed by an X-ray fluorescence spectrometer, includes: a step of acquiring a plurality of spectra at least having a first peak at a first energy position from a sample containing a plurality of elements under different measurement conditions; a step of designating, from among the plurality of spectra, a primary spectrum and a secondary spectrum having a second peak at a second energy position; a first fitting step of performing a fitting on the first peak included in the secondary spectrum to calculate a background intensity at the second energy position due to the first peak; and a second fitting step of performing a fitting on the first peak of the primary spectrum and performing a fitting on the second peak of the secondary spectrum under a condition that the calculated background intensity is included at the second energy position.