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安菲特律忒:一个用于处理行波离子迁移谱数据的程序。

Amphitrite: A program for processing travelling wave ion mobility mass spectrometry data.

作者信息

Sivalingam Ganesh N, Yan Jun, Sahota Harpal, Thalassinos Konstantinos

机构信息

Institute of Structural and Molecular Biology, Division of Biosciences, University College London, London, UK.

Institute of Structural and Molecular Biology, Crystallography, Birkbeck College, London, UK.

出版信息

Int J Mass Spectrom. 2013 Jul 1;345-347:54-62. doi: 10.1016/j.ijms.2012.09.005.

Abstract

Since the introduction of travelling wave (T-Wave)-based ion mobility in 2007 a large number of research laboratories have embraced the technique, particularly those working in the field of structural biology. The development of software to process the data generated from this technique, however, has been limited. We present a novel software package that enables the processing of T-Wave ion mobility data. The program can deconvolute components in a mass spectrum and uses this information to extract corresponding arrival time distributions (ATDs) with minimal user intervention. It can also be used to automatically create a collision cross section (CCS) calibration and apply this to subsequent files of interest. A number of applications of the software, and how it enhances the information content extracted from the raw data, are illustrated using model proteins.

摘要

自2007年引入基于行波(T波)的离子淌度技术以来,大量研究实验室纷纷采用该技术,尤其是那些从事结构生物学领域研究的实验室。然而,用于处理该技术产生的数据的软件发展却很有限。我们提出了一个新颖的软件包,它能够处理T波离子淌度数据。该程序可以对质谱中的组分进行解卷积,并利用这些信息以最少的用户干预提取相应的到达时间分布(ATD)。它还可用于自动创建碰撞截面(CCS)校准,并将其应用于后续感兴趣的文件。使用模型蛋白展示了该软件的一些应用,以及它如何增强从原始数据中提取的信息内容。

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