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基于最大隶属原则的核磁共振波谱模糊识别

王崇杰 周小波 孙丽媛 孙博 付颖 张占南 许永廷 冯春梁

波谱学杂志2011,Vol.28Issue(2):244-250,7.
波谱学杂志2011,Vol.28Issue(2):244-250,7.

基于最大隶属原则的核磁共振波谱模糊识别

Fuzzy Recognition of NMR Spectra Based on the Maximum Principle of Membership

王崇杰 1周小波 1孙丽媛 2孙博 1付颖 1张占南 1许永廷 3冯春梁4

作者信息

  • 1. 辽宁师范大学,物理与电子技术学院,辽宁,大连,116029
  • 2. 沈阳航空工业大学,理学院,辽宁,沈阳,110136
  • 3. 辽宁师范大学,分析测试中心,辽宁,大连,116029
  • 4. 辽宁师范大学,化学与化工学院,辽宁,大连,116029
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摘要

Abstract

The principle and method of fuzzy recognition of NMR spectra based on maximum principle of membership were reviewed. The concept of fuzzy set for NMR spectra was first introduced, and then the membership function was given. By establishing library of standard compounds and algorithm of fuzzy recognition, a quick automatic qualitative analysis was achieved. 1H NMR spectra of 11 mixed samples composed of 4 compounds were analyzed. The results show that the compounds in the samples can be recognized accurately even when the peak positions were only calculated roughly, and the threshold of average membership took value from 0. 45~0.85.

关键词

核磁共振(NMR)/模糊识别/最大隶属原则/谱峰/化学位移

Key words

NMR/ fuzzy recognition/ maximum principle of membership/ spectra peaks/chemical shift

分类

数理科学

引用本文复制引用

王崇杰,周小波,孙丽媛,孙博,付颖,张占南,许永廷,冯春梁..基于最大隶属原则的核磁共振波谱模糊识别[J].波谱学杂志,2011,28(2):244-250,7.

基金项目

国家自然科学基金资助项目(60572009),辽宁省科技基金资助项目(99102004). (60572009)

波谱学杂志

OA北大核心CSCDCSTPCD

1000-4556

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