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Avant-garde: an automated data-driven DIA data curation tool
Nature Methods ( IF 36.1 ) Pub Date : 2020-11-16 , DOI: 10.1038/s41592-020-00986-4
Alvaro Sebastian Vaca Jacome 1 , Ryan Peckner 1, 2 , Nicholas Shulman 3 , Karsten Krug 1 , Katherine C DeRuff 1 , Adam Officer 1 , Karen E Christianson 1 , Brendan MacLean 3 , Michael J MacCoss 3 , Steven A Carr 1 , Jacob D Jaffe 1, 4, 4
Affiliation  

Several challenges remain in data-independent acquisition (DIA) data analysis, such as to confidently identify peptides, define integration boundaries, remove interferences, and control false discovery rates. In practice, a visual inspection of the signals is still required, which is impractical with large datasets. We present Avant-garde as a tool to refine DIA (and parallel reaction monitoring) data. Avant-garde uses a novel data-driven scoring strategy: signals are refined by learning from the dataset itself, using all measurements in all samples to achieve the best optimization. We evaluate the performance of Avant-garde using benchmark DIA datasets and show that it can determine the quantitative suitability of a peptide peak, and reach the same levels of selectivity, accuracy, and reproducibility as manual validation. Avant-garde is complementary to existing DIA analysis engines and aims to establish a strong foundation for subsequent analysis of quantitative mass spectrometry data.



中文翻译:

Avant-garde:自动化数据驱动的 DIA 数据管理工具

数据独立采集 (DIA) 数据分析仍然存在一些挑战,例如自信地识别肽、定义集成边界、消除干扰和控制错误发现率。在实践中,仍然需要对信号进行目视检查,这对于大型数据集来说是不切实际的。我们将 Avant-garde 作为提炼 DIA(和平行反应监测)数据的工具。Avant-garde 采用了一种新颖的数据驱动评分策略:通过从数据集本身学习来细化信号,使用所有样本中的所有测量值来实现最佳优化。我们使用基准 DIA 数据集评估了 Avant-garde 的性能,并表明它可以确定肽峰的定量适用性,并达到与手动验证相同水平的选择性、准确性和重现性。Avant-garde是对现有DIA分析引擎的补充,旨在为后续定量质谱数据分析奠定坚实的基础。

更新日期:2020-11-16
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