ChromA：基于信号的色谱-质谱数据保留时间对齐。
ChromA: signal-based retention time alignment for chromatography-mass spectrometry data.
机构信息
Genome Informatics, Faculty of Technology, Bielefeld University, Bielefeld, Germany.
出版信息
Bioinformatics. 2009 Aug 15;25(16):2080-1. doi: 10.1093/bioinformatics/btp343. Epub 2009 Jun 8.
SUMMARY
We describe ChromA, a web-based alignment tool for chromatography-mass spectrometry data from the metabolomics and proteomics domains. Users can supply their data in open and standardized file formats for retention time alignment using dynamic time warping with different configurable local distance and similarity functions. Additionally, user-defined anchors can be used to constrain and speedup the alignment. A neighborhood around each anchor can be added to increase the flexibility of the constrained alignment. ChromA offers different visualizations of the alignment for easier qualitative interpretation and comparison of the data. For the multiple alignment of more than two data files, the center-star approximation is applied to select a reference among input files to align to.
AVAILABILITY
ChromA is available at http://bibiserv.techfak.uni-bielefeld.de/chroma. Executables and source code under the L-GPL v3 license are provided for download at the same location.
摘要
我们描述了 ChromA，这是一个用于代谢组学和蛋白质组学领域的基于网络的色谱-质谱数据对齐工具。用户可以使用动态时间 warping 提供他们的以开放和标准化文件格式存储的保留时间对齐数据，并使用不同的可配置局部距离和相似性函数。此外，用户定义的锚点可以用于约束和加速对齐。可以在每个锚点周围添加一个邻域，以增加约束对齐的灵活性。ChromA 提供了对齐的不同可视化效果，以便更容易进行定性解释和比较数据。对于超过两个数据文件的多对齐，应用中心星近似法从输入文件中选择一个参考文件进行对齐。
可用性
ChromA 可在 http://bibiserv.techfak.uni-bielefeld.de/chroma 上获得。根据 L-GPL v3 许可证提供了可执行文件和源代码，可在同一位置下载。
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