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Spectral analysis method and system based on multistage partial least squares algorithm

A technique of partial least squares and spectral analysis, applied in the field of spectral analysis

Active Publication Date: 2021-06-25
SHANDONG UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0005] The object of the present invention is to provide a spectral analysis method and system based on multi-level partial least squares algorithm that realizes different temperature corrections and improves the prediction accuracy of the raw plasma quantitative analysis model, so as to solve at least one of the problems in the above-mentioned background technology. technical issue

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  • Spectral analysis method and system based on multistage partial least squares algorithm
  • Spectral analysis method and system based on multistage partial least squares algorithm

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Embodiment 1

[0042]Embodiment 1 of the present invention provides a spectral analysis system based on a multi-stage partial least squares algorithm, the system comprising:

[0043] The collection module is used to collect spectra of samples at multiple different temperatures;

[0044] A preprocessing module, configured to filter and preprocess the collected spectra;

[0045] A building block for constructing an analysis model using the pre-filtered spectrum combined with a multi-level partial least squares algorithm;

[0046] The analysis module is used to use the analysis model to predict the spectral temperature and sample concentration, realize the correction of the spectral temperature, and analyze the sample spectra under different temperature disturbances.

[0047] In this embodiment 1, after the spectral matrix at different temperatures is overall centered, a partial least squares PLS regression analysis is performed on the matrix composed of the average value vector of each indivi...

Embodiment 2

[0063] In order to further improve the prediction ability of the near-infrared spectral model under temperature disturbance, in this embodiment 2, taking the spectral analysis of raw plasma as an example, a spectral analysis method based on the multi-level partial least squares algorithm is provided. The least squares (Multilevel Partial Least Square, MPLS) algorithm is used for the establishment of the near-infrared spectrum model, which realizes the improvement of the near-infrared spectrum modeling ability under temperature disturbance, improves the model prediction ability, and reduces the influence of temperature on the near-infrared spectrum .

[0064] The spectral analysis method based on the multistage partial least squares algorithm described in this embodiment 2:

[0065] The sample spectrum is collected by a near-infrared spectrometer, and the collected spectrum is processed to obtain an inter-individual model (inter-temperature model) and an intra-individual model ...

Embodiment 3

[0090] In the present embodiment 3, a kind of spectral analysis method based on the raw material plasma of multistage partial least square algorithm (MPLS) is provided, and PLS model, EPO-PLS model, MSCA model are established respectively, and in the present embodiment 3 The MPLS model is analyzed and compared.

[0091] In this embodiment 3, the spectral analysis method based on the raw material plasma of multistage partial least square algorithm (MPLS) comprises the following steps:

[0092] Collect raw spectra of raw plasma samples at 10 different temperatures; respectively 5°C, 10°C, 15°C, 20°C, 25°C, 30°C, 35°C, 40°C, 45°C, 50°C;

[0093] Perform filtering preprocessing on the collected spectra;

[0094] Using the pre-filtered spectrum, combined with the multi-level partial least squares algorithm, to build an analysis model;

[0095] The analysis model is used to predict the spectral temperature and sample concentration, realize spectral temperature correction, and anal...

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Abstract

The invention provides a spectral analysis method and system based on a multistage partial least square algorithm, and belongs to the technical field of spectral analysis. The spectral analysis method comprises the following steps: collecting spectrums of a sample at a plurality of different temperatures; carrying out filtering pretreatment on the collected spectrum; aonstructing an analysis model by using the spectrum after filtering pretreatment and combining a multi-level partial least square algorithm; and performing spectrum temperature prediction and sample concentration prediction by using the analysis model to realize spectrum temperature correction, and analyzing sample spectrums under different temperature disturbances. According to the method, spectral changes caused by the temperature and the concentration can be separated, the inter-temperature model and the intra-temperature model are established respectively, the inter-temperature model can successfully predict the spectral temperature, the intra-temperature model can be used for predicting the concentration, and temperature interference during near infrared spectrum modeling is eliminated.

Description

technical field [0001] The invention relates to the technical field of spectral analysis, in particular to a spectral analysis method and system based on a multi-stage partial least squares algorithm. Background technique [0002] Near-infrared spectroscopy can not only reflect the structural information of hydrogen-containing groups, but also reflect the information of intramolecular and intermolecular interactions including hydrogen bonds. When the temperature changes, the molecular interactions will also change, which will cause near Changes in the infrared spectrum. [0003] The main components of raw plasma include 92% water and 6%-8% plasma protein, and the rest are non-protein organic matter. Water has a strong absorption in the near-infrared band. Under temperature disturbance, water with different hydrogen bonds will show different changes with temperature, which in turn reflects the interaction between protein and water. By analyzing the changes of hydrogen bonds...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N21/359G06F17/18G06K9/62
CPCG01N21/359G06F17/18G06F18/2135
Inventor 臧恒昌张惠李连聂磊孙钟毓林泊然杨向春
Owner SHANDONG UNIV
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