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Spectral Analysis Method and System Based on Multilevel Partial Least Squares Algorithm

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

Active Publication Date: 2022-05-17
SHANDONG UNIV
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  • 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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Embodiment 1

[0042] Embodiment 1 of the invention provides a spectral analysis system based on multi-level partial least squares algorithm, which comprises:

[0043] Multiple spectral acquisition modules are used to collect samples at different temperatures;

[0044] The preprocessing module is used for filtering and preprocessing the collected spectrum;

[0045] The construction module is used to construct the analysis model by using the spectrum after filtering preprocessing and multi-level partial least squares algorithm;

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

[0047] In this embodiment 1, after centralizing the spectral matrix at different temperatures, the matrix composed of the average value vector of each individual is subjected to partial least squares PLS regression analysis. The s...

Embodiment 2

[0063] In order to further improve the prediction ability of 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 multilevel partial least square algorithm is provided. Multilevel partial least square (MPLS) algorithm is used to establish the near-infrared spectral model, so as to improve the near-infrared spectral modeling ability under temperature disturbance, The prediction ability of the model is improved and the influence of temperature on the near-infrared spectrum is reduced.

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

[0065] The near-infrared spectrometer is used to collect the sample spectrum. After processing the collected spectrum, the inter individual model (inter temperature model) and intra individual model (intra temperature model) are obtained. The projection direction c...

Embodiment 3

[0090] In this embodiment 3, a spectral analysis method of raw plasma based on multilevel partial least squares algorithm (MPLS) is provided, and PLS model, epo-pls model and MSCA model are established respectively, which are analyzed and compared with the MPLS model in this embodiment 3.

[0091] In embodiment 3, the spectral analysis method of raw plasma based on multilevel partial least squares algorithm (MPLS) includes the following steps:

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

[0093] Filter and preprocess the collected spectrum;

[0094] Using the spectrum after filtering preprocessing and multi-level partial least squares algorithm, the analysis model is constructed;

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

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Abstract

The invention provides a spectral analysis method and system based on a multi-level partial least squares algorithm, which belongs to the technical field of spectral analysis, and collects spectra of samples at multiple different temperatures; performs filtering preprocessing on the collected spectra; uses filtering preprocessing The final spectrum is combined with the multi-level partial least squares algorithm to construct an analysis model; use the analysis model to predict the spectral temperature and sample concentration, realize spectral temperature correction, and analyze the sample spectrum under different temperature disturbances. The present invention can separate the spectral changes caused by temperature and concentration, and establish the inter-temperature model and the internal temperature model respectively. temperature interference.

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 multi-level partial least squares algorithm. Background technology [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, resulting in the change of near infrared spectroscopy. [0003] The main components of raw plasma include 92% water and 6% - 8% plasma protein, and the others are non protein organics. Water has strong absorption in the near-infrared band. Under the temperature disturbance, the water bound by different hydrogen bonds will show different changes with the temperature, which reflects the interaction between protein and water. By analyzing the changes of hydrogen bonds and ...

Claims

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Application Information

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Patent Type & Authority Patents(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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