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

Abstract

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.

Key words: NMR, fuzzy recognition, maximum principle of membership, spectra peaks, chemical shift

CLC Number:

O159
O482.53

WANG Chong-Jie, ZHOU Xiao-Bo, SUN Li-Yuan, SUN Bo, FU Ying, ZHANG Zhan-Na, XU Yong-Ting, FENG Chun-Liang . Fuzzy Recognition of NMR Spectra Based on the Maximum Principle of Membership[J]. Chinese Journal of Magnetic Resonance, 2011, 28(2): 244-250.

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