Macromolecular NMR Department, Bristol-Myers Squibb Pharmaceutical Research Institute, P.O. Box 4000, 08543-4000, Princeton, NJ, USA.
J Biomol NMR. 1995 Feb;5(2):147-53. doi: 10.1007/BF00208805.
A novel algorithm for removing baseline distortions in NMR spectra is presented. The algorithm approximates the baseline as the median of the noise extrema. Consequently, the method does not require that NMR peaks be discriminated from noise peaks. In addition, no assumptions regarding the source or functional form of the distortion are made. The algorithm is shown to remove the baseline artifacts present in a particularly distorted NOESY spectrum and to reveal peaks which had been obscured by the artifacts. The parameters and spectral characteristics (signal-to-noise ratio, NMR peak density, peak linewidths) governing the resolution of the calculated baselines are also explored.
提出了一种用于去除 NMR 谱基线扭曲的新算法。该算法将基线近似为噪声极值的中位数。因此,该方法不需要区分 NMR 峰和噪声峰。此外,也不假设失真的来源或函数形式。该算法被证明可以去除特别扭曲的 NOESY 谱中存在的基线伪影,并揭示被伪影掩盖的峰。还探讨了控制计算基线分辨率的参数和光谱特征(信噪比、NMR 峰密度、峰线宽)。