INTELLIGENT AUTOMATED CORRECTION OF BASEPLANE AND SYSTEMATIC NOISE IN 2-DIMENSIONAL NMR-SPECTRA

被引:2
作者
LEVY, GC
JEONG, GW
YU, JQ
WANG, K
机构
[1] SYRACUSE UNIV,DEPT CHEM,NMR & DATA PROC LAB,SYRACUSE,NY 13244
[2] SYRACUSE UNIV,CASE CTR,SYRACUSE,NY 13244
关键词
D O I
10.1006/jmra.1994.1244
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
A computer program useful for 2D NMR data is described that provides automatic two-dimensional baseplane correction and subsequent tl and fl ridge suppression. The algorithm per forms combined correction of smooth baseplane distortions and sharp ridges in 2D NMR spectra through five steps: (1) identification of resonance peaks and ridges, (2) extraction of initial, putative global baseplane, (3) window filtering of the corresponding time domain, (4) construction of a 2D spectrum free of baseplane distortion, and (5) suppression of ridges, The optimal parameters for baseplane and ridge correction are automatically decided by the program, yielding a greatly improved spectrum, together with more accurate spectral information. (C) 1994 Academic Press, Inc.
引用
收藏
页码:179 / 185
页数:7
相关论文
共 33 条
[1]   RETRIEVAL OF FREQUENCIES, AMPLITUDES, DAMPING FACTORS, AND PHASES FROM TIME-DOMAIN SIGNALS USING A LINEAR LEAST-SQUARES PROCEDURE [J].
BARKHUIJSEN, H ;
DEBEER, R ;
BOVEE, WMMJ ;
VANORMONDT, D .
JOURNAL OF MAGNETIC RESONANCE, 1985, 61 (03) :465-481
[2]   CONFORMATION OF GLUCAGON IN A LIPID WATER INTERPHASE BY H-1 NUCLEAR MAGNETIC-RESONANCE [J].
BRAUN, W ;
WIDER, G ;
LEE, KH ;
WUTHRICH, K .
JOURNAL OF MOLECULAR BIOLOGY, 1983, 169 (04) :921-948
[3]   ELIMINATION OF BASELINE DISTORTIONS AND MINIMIZATION OF ARTIFACTS FROM PHASED 2-D NMR-SPECTRA [J].
DAVIS, DG .
JOURNAL OF MAGNETIC RESONANCE, 1989, 81 (03) :603-607
[4]   COMBINED SUPPRESSION OF DIAGONAL PEAKS AND T1 RIDGES IN TWO-DIMENSIONAL NUCLEAR OVERHAUSER ENHANCEMENT SPECTRA [J].
DENK, W ;
WAGNER, G ;
RANCE, M ;
WUTHRICH, K .
JOURNAL OF MAGNETIC RESONANCE, 1985, 62 (02) :350-355
[5]   FAST AND PRECISE AUTOMATIC BASE-LINE CORRECTION OF ONE-DIMENSIONAL AND 2-DIMENSIONAL NMR-SPECTRA [J].
DIETRICH, W ;
RUDEL, CH ;
NEUMANN, M .
JOURNAL OF MAGNETIC RESONANCE, 1991, 91 (01) :1-11
[6]   A SIMPLE METHOD FOR THE FITTING OF BASELINES AND RESONANCE PEAKS IN NMR-SPECTROSCOPY [J].
DIETRICH, W ;
GERHARDS, R .
JOURNAL OF MAGNETIC RESONANCE, 1981, 44 (02) :229-237
[7]  
GEMPERLINE PJ, 1987, APPL SPECTROSC, V41, P455
[8]   SUPPRESSION OF T1 NOISE IN 2D-NMR SPECTROSCOPY BY REFERENCE DECONVOLUTION [J].
GIBBS, A ;
MORRIS, GA ;
SWANSON, AG ;
COWBURN, D .
JOURNAL OF MAGNETIC RESONANCE SERIES A, 1993, 101 (03) :351-356
[9]   IMPROVEMENT OF TWO-DIMENSIONAL NMR-SPECTRA BY WEIGHTED MEAN T1-RIDGE SUBTRACTION AND ANTIDIAGONAL REDUCTION [J].
GLASER, S ;
KALBITZER, HR .
JOURNAL OF MAGNETIC RESONANCE, 1986, 68 (02) :350-354
[10]  
HOFFMAN RE, 1989, SIMULATION PROGRAM M