多维谱的简化探测

提出一种利用谱编辑的方法来简化二维谱的探测,使得一张二维谱可以被简化为N条一维谱(N等于二维谱中F1维上的谱线总数),从而达到缩短数据采集时间和减少数据贮存空间的目的。文中给出了运用此方法探测二维碳氢异核相关实验的实例,并分析了由于F1维的谱线不为δ函数而产生的编辑误差的大小,最后将此方法推广到三维的简化探测,即通过对N张二维谱的编辑获得三维谱的信息。

A SIMPLIFIED METHOD TO DETECT MULTIDIMEN-SIONAL NMR SPECTRA

A method based on spectral editing is suggested to simplify the multidimensional nmr experiments. According to this method, a two dimension experiment that there are N resonance lines in Fl domain can be decomposed into N one dimension experiments with relevant evolution times, then these Qne dimension data should be edited. The editing parameters are calculated from the resonance offsets of the lines in Fl domain and the different evolution times. The edited 1D spectra are 2D slices which contain 2D correlation informations. For demonstration, we have applied this method to simplify 2D inverse C-H correlation and 3D inverse C-H-H correlation experiments. The editing error due to the natural line width in Fl domain has been analyzed by numerical method, and it shows that the error can be ignored when T~*-2>>t1.