Method for designing formulas based on mapping collection of spectral data and chemical test data

A technology of spectral data and detection data, which is applied in the field of material detection, can solve the problems that the model has not been widely popularized and applied, and the hardware system and software technology are not perfect and convenient, so as to meet the effect of diverse detection needs

Inactive Publication Date: 2017-05-17
SHENZHEN BATIAN ECOTYPIC ENG
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0004] my country has been involved in the research of near-infrared spectroscopy since the 1980s. However, because it

Method used

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  • Method for designing formulas based on mapping collection of spectral data and chemical test data
  • Method for designing formulas based on mapping collection of spectral data and chemical test data
  • Method for designing formulas based on mapping collection of spectral data and chemical test data

Examples

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Example Embodiment

[0038] The method of designing single-component detection formula in the potato data model of embodiment 1

[0039] Establish a potato mapping database before designing the formula. The mapping database contains 150 potato spectral data and chemical data mapping data sets. The chemical data includes the content data of protein, starch, and fat. A collection of spectral data for bands, nanometer wavelengths of integer wavelengths, and absorbance.

[0040] Determining the number of formulas: Potatoes have three detection components: protein, starch, and fat, and three formulas need to be established.

[0041] Determine the number of wavelengths: take the following method as an example to demonstrate the method of setting formulas, in which the number of nanometers for each wavelength is randomly selected or selected according to the formula.

[0042] 4 wavelengths are determined for protein detection, namely p1nm and p2nm, p3nm, p4nm

[0043] Two wavelengths were determined fo...

Example Embodiment

[0049] The method for designing single-component and multi-component formulas in the potato data model of embodiment 2

[0050] Establish a potato mapping database before designing the formula. The mapping database contains a mapping data set of 100 potato spectral data and chemical data. The chemical data includes content data of protein, starch, and fat. A collection of spectral data for bands, nanometer wavelengths of integer wavelengths, and absorbance.

[0051] Determining the number of formulas: Potatoes have three detection components: protein, starch, and fat, and three formulas need to be established.

[0052] Determine the number of wavelengths: take the following method as an example to demonstrate the method of setting formulas, in which the number of nanometers for each wavelength is randomly selected or selected according to the formula.

[0053] 4 wavelengths are determined for protein detection, namely p1nm and p2nm, p3nm, p4nm

[0054] Two wavelengths were d...

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Abstract

The invention relates to a method for designing formulas based on mapping collection of spectral data and chemical test data. The method comprises the following steps: determining the quantity of formulas, determining the quantity of wavelengths and performing formula establishment, formula validation and formula operation. The method is characterized in that the quantity K of the formulas is determined according to the quantity T of detection components in chemical data in a mapping database, wherein K meets a relation in the Specification; C indicates the meaning of a combined formula. The method provided by the invention realizes the formula establishment for single-material and multi-material combination aiming at the same mapping database so as to meet the diversified detection requirements and reasonably determine the quantity of the formulas. The formulas are validated by adopting multiple new spectral data and new chemical detection data so as to ensure that the validation can meet the formula accuracy requirements to the greatest extent.

Description

technical field [0001] The invention belongs to the field of material detection, in particular to a method for detecting chemical components by using spectra, and in particular to a method for designing formulas based on a mapping set of spectral data and chemical detection data. Background technique [0002] There are many key issues in spectral analysis, including the standardization of spectral collectors, the standardization and rapidity of chemical detection, but there is another very critical technology that is the technology of designing formulas in modeling. [0003] It is one of the core technologies of near-infrared spectroscopy to establish a functional relationship between analytical spectral information and components, and to establish a mathematical model. At present, the application of improved algorithms and new methods of existing analytical modeling is constantly emerging, but each algorithm has its own advantages and also has certain limitations. For the ...

Claims

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Application Information

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IPC IPC(8): G01N21/31
Inventor 刘法安刘毅谭占鳌陈剑朱朝霞
Owner SHENZHEN BATIAN ECOTYPIC ENG
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