计算机科学
工作流程
互操作性
软件
数据库
文档
文件格式
应用程序编程接口
开源
仪表(计算机编程)
原始数据
Python(编程语言)
软件工程
操作系统
万维网
程序设计语言
作者
Gordon T Luu,Itzel Lizama-Chamu,Catherine S McCaughey,Laura M Sanchez,Mingxun Wang
标识
DOI:10.1101/2021.12.09.472024
摘要
Abstract Summary Advances in mass spectrometry instrumentation have led to the development of mass spectrometers with ion mobility separation (IMS) capabilities and dual source instrumentation, but the current software ecosystem lacks interoperability with downstream data analysis using open-source software/pipelines. Here, we present TIMSCONVERT, a data conversion workflow from timsTOF fleX MS raw data files to size conscious mzML and imzML formats with minimal preprocessing to allow for compatibility with downstream data analysis tools, which we showcase with several examples using data acquired across different experiments and acquisition modalities on the timsTOF fleX. Availability and Implementation TIMSCONVERT and its documentation can be found at https://github.com/gtluu/timsconvert and is available as a standalone command line interface, Nextflow workflow, and online in the Global Natural Products Social (GNPS) platform (https://proteomics2.ucsd.edu/ProteoSAFe/index.jsp?params={%22workflow%22%3A%20%22TIMSCONVERT%22}). Contact Mingxun Wang, miw023@ucsd.edu Supplementary Information Supplementary data are available at Bioinformatics online.
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