May Damon, Law Wendy, Fitzgibbon Matt, Fang Qiaojun, McIntosh Martin
Molecular Diagnostics Program, Fred Hutchinson Cancer Research Center, Seattle, Washington 98109, USA.
J Proteome Res. 2009 Jun;8(6):3212-7. doi: 10.1021/pr900169w.
We describe and demonstrate the proteomics computational toolkit provided in the open-source msInspect software distribution. The toolkit includes modules written in Java and in the R statistical programming language to aid the rapid development of proteomics software applications. It contains tools for processing and manipulating standard MS data files, including signal processing of LC-MS data and parsing of MS/MS search results, as well as for modeling proteomics data structures, creating charts, and other common tasks. We present this toolkit's capability to rapidly develop new computational tools by presenting an example application, Qurate, a graphical tool for manually curating isotopically labeled peptide quantitative events.
我们描述并展示了开源msInspect软件发行版中提供的蛋白质组学计算工具包。该工具包包括用Java和R统计编程语言编写的模块，以帮助快速开发蛋白质组学软件应用程序。它包含用于处理和操作标准质谱数据文件的工具，包括液相色谱-质谱数据的信号处理和串联质谱搜索结果的解析，以及用于蛋白质组学数据结构建模、创建图表和其他常见任务的工具。我们通过展示一个示例应用程序Qurate（一个用于手动整理同位素标记肽定量事件的图形工具）来介绍该工具包快速开发新计算工具的能力。
