Crystal powder diffraction pattern clustering method and device and storage medium

A technology of crystal powder and clustering method, which is applied in the field of spectral processing, can solve problems such as inaccurate clustering results, and achieve the effect of eliminating interference and accurate clustering results

Active Publication Date: 2022-01-04
SHENZHEN JINGTAI TECH CO LTD
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  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

However, the existing clustering methods for crystal powder diffraction patterns are easy to cluster patterns that do not belong to the same type, and the clustering results are not accurate

Method used

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  • Crystal powder diffraction pattern clustering method and device and storage medium
  • Crystal powder diffraction pattern clustering method and device and storage medium
  • Crystal powder diffraction pattern clustering method and device and storage medium

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Embodiment Construction

[0027] Embodiments of the present application will be described in more detail below with reference to the accompanying drawings. Although embodiments of the present application are shown in the drawings, it should be understood that the present application may be embodied in various forms and should not be limited by the embodiments set forth herein. Rather, these embodiments are provided so that this application will be thorough and complete, and will fully convey the scope of this application to those skilled in the art.

[0028] The terminology used in this application is for the purpose of describing particular embodiments only, and is not intended to limit the application. As used in this application and the appended claims, the singular forms "a", "the", and "the" are intended to include the plural forms as well, unless the context clearly dictates otherwise. It should also be understood that the term "and / or" as used herein refers to and includes any and all possible ...

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Abstract

The invention relates to a crystal powder diffraction pattern clustering method and device and a storage medium. The method comprises the following steps: acquiring a crystal XRPD map to be clustered; obtaining a clustering parameter; removing background lines in the crystal XRPD atlas to be clustered to acquire a crystal XRPD atlas with the background lines removed; calculating a similarity matrix of the crystal XRPD maps of which the background lines are removed, wherein elements of the similarity matrix comprise similarity values of every two crystal XRPD maps in the crystal XRPD maps of which the background lines are removed; and according to the similarity matrix and the clustering parameter, carrying out clustering on the crystal XRPD atlas of which the background lines are removed to obtain a clustering result. According to the technical scheme, the accuracy of diffraction pattern clustering can be improved.

Description

technical field [0001] The present application relates to the technical field of spectrum processing, and in particular to a clustering method, device and storage medium of crystal powder diffraction patterns. Background technique [0002] Crystal powder diffraction pattern is an important means to analyze crystal structure and properties, the most common of which is X-ray powder diffraction (X-Ray Powder Diffraction, XRPD) pattern, which is used to determine whether a substance is a crystal, what kind of crystal it is, and the nature of the substance. The crystal form and the stress of the material structure have a wide range of applications. Since different types of XRPD patterns (sometimes referred to as xrd patterns) correspond to different crystal powders, it is necessary to cluster the crystal powder diffraction patterns in the analysis of the crystal powder diffraction patterns. However, the existing clustering methods for crystal powder diffraction patterns tend to ...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06K9/62
CPCG06F18/23G06F18/22
Inventor 王火斌刘雪涛阳卓岑
Owner SHENZHEN JINGTAI TECH CO LTD
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