周海洋, 刘朋欢, 金尚忠. 数据非依赖采集张量质谱数据计算平台的开发[J]. 质谱学报, 2024, 45(3): 412-421. DOI: 10.7538/zpxb.2023.0113
引用本文: 周海洋, 刘朋欢, 金尚忠. 数据非依赖采集张量质谱数据计算平台的开发[J]. 质谱学报, 2024, 45(3): 412-421. DOI: 10.7538/zpxb.2023.0113
ZHOU Hai-yang, LIU Peng-huan, JIN Shang-zhong. Development of a Computing Platform for Data Independent Acquisition Tensor Data[J]. Journal of Chinese Mass Spectrometry Society, 2024, 45(3): 412-421. DOI: 10.7538/zpxb.2023.0113
Citation: ZHOU Hai-yang, LIU Peng-huan, JIN Shang-zhong. Development of a Computing Platform for Data Independent Acquisition Tensor Data[J]. Journal of Chinese Mass Spectrometry Society, 2024, 45(3): 412-421. DOI: 10.7538/zpxb.2023.0113

数据非依赖采集张量质谱数据计算平台的开发

Development of a Computing Platform for Data Independent Acquisition Tensor Data

  • 摘要: 数据非依赖采集张量(data independent acquisition tensor, DIAT)是一种质谱数据格式,用于处理和分析数据非依赖采集方法获得的蛋白质组学数据。与传统方法相比,DIAT技术具有便捷的数据可视化处理和高效的深度学习模型训练等优势。但由于目前缺乏支持DIAT格式数据的软件平台,限制了其应用。为解决这一问题,本文基于PyQt框架设计了一款用于处理和分析DIAT数据的软件,涵盖了与DIAT技术相关的所有功能,使用户能够轻松地利用DIAT数据进行复杂分析,降低了使用门槛,为数据非依赖采集(DIA)质谱数据分析注入了活力。

     

    Abstract: Data independent acquisition tensor (DIAT), a specialized mass spectrometry data format, is intricately crafted for acquiring the meticulous processing and analysis of proteomics data through the advanced methodology of data independent acquisition (DIA). Compared to conventional approaches, DIAT technique has the advantages of the seamless processing of data visualization and efficient deep learning model training, ensuring a convenient user experience. Despite these merits, the DIAT mass spectrometry data format remains a relatively recent introduction. As a consequence, comprehensive principles and methodologies elucidating the nuances of this data format are predominantly found within the confines of specialized literatures. Furthermore, the absence of robust software platform supporting for the utilization of DIAT format data is a key impediment, hindering the widespread application in various scientific domains. In response to these challenges, a meticulously designed software solution for the comprehensive handling and analyzing of DIAT data was introduced in this study. Leveraging the robust capabilities of the PyQt framework, the software embodied a spectrum of functionalities intricately tied to DIAT technique, including DIAT data format conversion, the intuitive visualization of DIAT data, the training of classification models using DIAT data, and the accurate prediction of DIAT data labels through the utilization of trained models. Crucially, each of these functionalities underwent rigorous test using authentic mass spectrometry data. The test results unequivocally showcased the prowess of the DIAT computational software, empowering users to engage effortlessly in complex DIAT data analysis. This not only lowered the entry barriers for users, but also injected a renewed vigor into the field of DIA mass spectrometry data analysis. In summary, DIAT emerged as a trailblazing mass spectrometry data format meticulously tailored for the expeditious processing and analysis of proteomics data acquired through the sophisticated techniques of DIA. This study introduced a groundbreaking software solution, which was developed on the robust PyQt framework, aimed at surmounting the existing limitations associated with the nascent DIAT format. The implemented software was validated through rigorous real-world data testing, not only facilitated sophisticated DIAT data analysis but also significantly contributed to enhance the accessibility and dynamism of DIA mass spectrometry data analysis. This innovative approach will hold immense promise for advancing research and applications in the ever-evolving field of proteomics.

     

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