Deconvolution filters to enhance resolution of dense time-of-flight survey spectra in the time-lag optimization range.
Deconvolution filters to enhance resolution of dense time-of-flight survey spectra in the time-lag optimization range.
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DOI：
10.1002/rcm.2487
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发表时间：
2006-06
期刊：
影响因子：
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通讯作者：
D. Malyarenko;W. Cooke;E. Tracy;M. Trosset;O. Semmes;M. Sasinowski;D. Manos
中科院分区：
文献类型：
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作者：
D. Malyarenko;W. Cooke;E. Tracy;M. Trosset;O. Semmes;M. Sasinowski;D. Manos
通过将时域滤波器应用于飞行时间（TOF）质谱信号，我们同时平滑和缩小了光谱，从而提高了分辨率和信噪比。这种过滤过程具有优势，在大的密集光谱的情况下，详细的曲线拟合的光谱，当既不是位置，也不是质量峰的数量是已知的先验。该时间序列方法可直接应用于每个峰的点密度恒定的时滞优化范围。我们提出了一个系统的方法来优化过滤器，根据任何所需的品质因数，说明程序通过优化的信号噪声每单位带宽的基质辅助激光解吸/电离（MALDI）数据。我们还介绍了一个非线性滤波器，减少了虚假的结构，往往伴随着反卷积滤波器。应用这些过滤器的最终结果是，我们可以在密集的MALDI-TOF数据中识别新的结构，清楚地显示小加合物与重生物分子。
By applying time-domain filters to time-of-flight (TOF) mass spectrometry signals, we have simultaneously smoothed and narrowed spectra resulting in improved resolution and increased signal-to-noise ratios. This filtering procedure has an advantage over detailed curve fitting of spectra in the case of large dense spectra, when neither the location nor the number of mass peaks is known a priori. This time series method is directly applicable in the time lag optimization range, where point density per peak is constant. We present a systematic methodology to optimize the filters according to any desired figure of merit, illustrating the procedure by optimizing the signal-to-noise per unit bandwidth of matrix-assisted laser desorption/ionization (MALDI) data. We also introduce a nonlinear filter that reduces the spurious structure that often accompanies deconvolution filters. The net result of the application of these filters is that we can identify new structures in dense MALDI-TOF data, clearly showing small adducts to heavy biomolecules.