Mass Spectral Peak Distortion Due to Fourier Transform Signal Processing
Mass Spectral Peak Distortion Due to Fourier Transform Signal Processing
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DOI：
10.1007/s13361-014-0982-0
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发表时间：
2014-12-01
影响因子：
3.2
通讯作者：
Erve, John C. L.
中科院分区：
文献类型：
--
作者：
Rockwood, Alan L.;Erve, John C. L.
当使用来自Orbitrap和其他基于FT的质谱法的数据的信号处理的标准方法时，可能发生峰的失真。这些失真的出现是因为信号处理的标准方法不是线性过程。如果将两个或多个函数相加，例如来自傅里叶变换质谱仪的时间相关信号，并对和执行线性运算，则结果与对单独函数执行运算并将结果相加的结果相同。如果此关系无效，则操作是非线性的，并且可能产生意外和/或失真的结果。虽然傅里叶变换本身是线性算子，但是用于在基于傅里叶变换的方法中处理光谱的标准算法包括非线性数学算子，使得由标准算法处理的光谱可能变得失真。最严重的后果是光谱中峰的表观丰度可能不正确。鉴于这些考虑，我们进行了理论建模研究，以说明可以观察到的几种失真效应，包括丰度失真。此外，我们还讨论了这些影响可能表现出来的实验系统，包括建议的研究系统，应该证明这些峰值失真。最后，我们指出了文献中的几个例子，在这里提出的现象，峰值失真可能是合理的。
Distortions of peaks can occur when one uses the standard method of signal processing of data from the Orbitrap and other FT-based methods of mass spectrometry. These distortions arise because the standard method of signal processing is not a linear process. If one adds two or more functions, such as time-dependent signals from a Fourier transform mass spectrometer and performs a linear operation on the sum, the result is the same as if the operation was performed on separate functions and the results added. If this relationship is not valid, the operation is non-linear and can produce unexpected and/or distorted results. Although the Fourier transform itself is a linear operator, the standard algorithm for processing spectra in Fourier transform-based methods include non-linear mathematical operators such that spectra processed by the standard algorithm may become distorted. The most serious consequence is that apparent abundances of the peaks in the spectrum may be incorrect. In light of these considerations, we performed theoretical modeling studies to illustrate several distortion effects that can be observed, including abundance distortions. In addition, we discuss experimental systems where these effects may manifest, including suggested systems for study that should demonstrate these peak distortions. Finally, we point to several examples in the literature where peak distortions may be rationalized by the phenomena presented here.