Assessing data quality of peptide mass spectra obtained by quadrupole ion trap mass spectrometry
Assessing data quality of peptide mass spectra obtained by quadrupole ion trap mass spectrometry
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DOI：
10.1021/pr049844y
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发表时间：
2005-03-01
影响因子：
4.4
通讯作者：
Markey, SP
中科院分区：
文献类型：
--
作者：
Xu, M;Geer, LY;Markey, SP
介绍了一种对四极离子阱质谱仪获取的肽CID光谱进行光谱质量评价的算法。该方法采用二次判别函数，用人工分类的“坏”和“好”质量光谱校准，产生单一的“光谱质量”分数。许多没有显著匹配的光谱被评估为具有良好的光谱质量，这表明搜索方法的进步可能会产生结果的实质性改进。
An algorithm is introduced to assess spectral quality for peptide CID spectra acquired by a quadrupole ion trap mass spectrometer. The method employs a quadratic discriminant function calibrated with manually classified 'bad' and 'good' quality spectra, producing a single 'spectral quality' score. Many spectra examined that do not have significant matches are assessed to have good spectral quality, indicating that advances in search methods may yield substantial improvements in results.