Zhang Xiang, Asara John M, Adamec Jiri, Ouzzani Mourad, Elmagarmid Ahmed K
Bindley Bioscience Center, Purdue University West Lafayette, IN, USA.
Bioinformatics. 2005 Nov 1;21(21):4054-9. doi: 10.1093/bioinformatics/bti660. Epub 2005 Sep 8.
In a liquid chromatography-mass spectrometry (LC-MS)-based expressional proteomics, multiple samples from different groups are analyzed in parallel. It is necessary to develop a data mining system to perform peak quantification, peak alignment and data quality assurance.
We have developed an algorithm for spectrum deconvolution. A two-step alignment algorithm is proposed for recognizing peaks generated by the same peptide but detected in different samples. The quality of LC-MS data is evaluated using statistical tests and alignment quality tests.
Xalign software is available upon request from the author.
在基于液相色谱-质谱联用（LC-MS）的表达蛋白质组学中，来自不同组的多个样本会被并行分析。因此有必要开发一个数据挖掘系统来进行峰定量、峰对齐和数据质量保证。
我们开发了一种用于谱图去卷积的算法。提出了一种两步对齐算法，用于识别由同一肽段产生但在不同样本中检测到的峰。使用统计检验和对齐质量检验来评估LC-MS数据的质量。
可根据作者要求提供Xalign软件。
