MetAlign: Interface-Driven, Versatile Metabolomics Tool for Hyphenated Full-Scan Mass Spectrometry Data Preprocessing
MetAlign: Interface-Driven, Versatile Metabolomics Tool for Hyphenated Full-Scan Mass Spectrometry Data Preprocessing
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DOI：
10.1021/ac900036d
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发表时间：
2009-04-15
影响因子：
7.4
通讯作者：
Lommen, Arjen
中科院分区：
文献类型：
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作者：
Lommen, Arjen
连字符的全扫描MS技术产生了大量的数据。一个通用的、易于操作的自动化工具辅助数据分析对于处理这样的数据流是非常重要的。MetAlign软件-如本手稿中所述-处理范围广泛的准确质量和标称质量的GC/MS和LC/MS数据。它能够进行自动格式转换、精确的质量计算、基线校正、峰值拾取、饱和度和质量-峰值伪影过滤，以及多达1000个数据集的对齐。实现了100%到1000倍的数据缩减。MetAlign软件输出与大多数多元统计程序兼容。
Hyphenated full-scan MS technology creates large amounts of data. A versatile easy to handle automation tool aiding in the data analysis is very important in handling such a data stream. MetAlign software-as described in this manuscript-handles a broad range of accurate mass and nominal mass GC/MS and LC/MS data. It is capable of automatic format conversions, accurate mass calculations, baseline corrections, peak-picking, saturation and mass-peak artifact filtering, as well as alignment of up to 1000 data sets. A 100 to 1000-fold data reduction is achieved. MetAlign software output is compatible with most multivariate statistics programs.