多维核磁共振数据在通用计算机上的处理与三维谱的观测  

MULTIDIMENSIONAL NMR SPECTRAL DATA PROCESSING BY UNIVERSAL COMPUTER AND 3D SPECTRUM OBSERVATION

作　　者：吴冬辉[1] 孙伯勤[1] 胡鸿彬[1] 裘鉴卿[1] 沈联芳[1] 

机构地区：[1]中国科学院武汉物理研究所波谱与原子分子物理开放实验室

出　　处：《波谱学杂志》1991年第3期341-346,共6页Chinese Journal of Magnetic Resonance

基　　金：国家自然科学基金

摘　　要：本文分析、讨论了利用外部通用计算机处理核磁共振数据的方法及程序,包括数据格式转换,一维、二维、三维谱的数据处理,谱图的显示及输出,并以VAX机为例实现了三维谱的观测。文中还详细讨论了编程的原理和一些技术细节。The multidimensional NMR data acquisition on a routine spectrometer and processing on universal computer is described. The processing includes data format conversion , one, two and three dimensional NMR data processing programs, spectra display and plot program . The FFT formula for processing data obtained by sequence acquisition mode was derived, and other detail technical problems of developing the programs are discussed. As an example, H -H-C correlation 3D NMR spectrum of propyl alcohol is recorded and processed on VAX computer, the spectrum is displayed in Figure 1.

关 键 词：数据处理 NMR 计算机 三维谱 

分 类 号：O482.532[理学—固体物理]