从头校正低分辨率串联质谱图谱中用于鸟枪法蛋白质组学的质量测量误差。
De novo correction of mass measurement error in low resolution tandem MS spectra for shotgun proteomics.
机构信息
Department of Genome Sciences, University of Washington, Seattle, WA 98195, USA.
出版信息
J Am Soc Mass Spectrom. 2012 Dec;23(12):2075-82. doi: 10.1007/s13361-012-0482-z. Epub 2012 Sep 25.
Abstract
We report an algorithm designed for the calibration of low resolution peptide mass spectra. Our algorithm is implemented in a program called FineTune, which corrects systematic mass measurement error in 1 min, with no input required besides the mass spectra themselves. The mass measurement accuracy for a set of spectra collected on an LTQ-Velos improved 20-fold from -0.1776 ± 0.0010 m/z to 0.0078 ± 0.0006 m/z after calibration (avg ± 95 % confidence interval). The precision in mass measurement was improved due to the correction of non-linear variation in mass measurement accuracy across the m/z range.
摘要
我们报告了一种设计用于低分辨率肽质谱校准的算法。我们的算法在一个名为 FineTune 的程序中实现，它可以在 1 分钟内纠正系统的质量测量误差，除了质谱本身之外不需要任何输入。在 LTQ-Velos 上采集的一组质谱的质量测量精度从校准前的 -0.1776 ± 0.0010 m/z 提高到 0.0078 ± 0.0006 m/z（平均值 ± 95%置信区间）。质量测量精度的提高是由于校正了质荷比范围内质量测量精度的非线性变化。
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