Institute for Medical Informatics, Statistics and Epidemiology (IMISE), University of Leipzig, Leipzig, Germany.
Bioinformatics. 2012 Sep 1;28(17):2270-1. doi: 10.1093/bioinformatics/bts447. Epub 2012 Jul 12.
MALDIquant is an R package providing a complete and modular analysis pipeline for quantitative analysis of mass spectrometry data. MALDIquant is specifically designed with application in clinical diagnostics in mind and implements sophisticated routines for importing raw data, preprocessing, non-linear peak alignment and calibration. It also handles technical replicates as well as spectra with unequal resolution.
MALDIquant and its associated R packages readBrukerFlexData and readMzXmlData are freely available from the R archive CRAN (http://cran.r-project.org). The software is distributed under the GNU General Public License (version 3 or later) and is accompanied by example files and data. Additional documentation is available from http://strimmerlab.org/software/maldiquant/.
MALDIquant 是一个 R 包，提供了一个完整的、模块化的质谱数据分析管道，专门用于定量分析。MALDIquant 的设计特别考虑了临床诊断的应用，并实现了复杂的导入原始数据、预处理、非线性峰对齐和校准的例程。它还处理技术重复以及分辨率不同的光谱。
MALDIquant 及其相关的 R 包 readBrukerFlexData 和 readMzXmlData 可从 R 档案 CRAN（http://cran.r-project.org）免费获得。该软件根据 GNU 通用公共许可证（版本 3 或更高版本）分发，并附有示例文件和数据。更多文档可从 http://strimmerlab.org/software/maldiquant/ 获得。
