A numerical method for mass spectral data analysis
A numerical method for mass spectral data analysis
复制标题
DOI：
10.1016/j.aml.2005.02.033
复制
发表时间：
2005-12-01
影响因子：
3.7
通讯作者：
Guttman, CM
中科院分区：
文献类型：
--
作者：
Kearsley, AJ;Wallace, WE;Guttman, CM
新一代质谱仪在短时间内产生惊人数量的高质量数据，导致不可避免的数据分析瓶颈。自动数据分析算法需要快速和可重复地处理包含数百个峰的质谱，这部分光谱包含信息。新的数据处理算法必须以最少的用户输入工作，以节省操作员时间并消除不可避免的操作员偏差。为此，提出了一种精确的数学算法，可以自动定位和计算峰下面积。该算法应用于原始数据的有前途的数值性能。爱思唯尔有限公司出版
The new generation of mass spectrometers produces an astonishing amount of high-quality data in a brief period of time, leading to inevitable data analysis bottlenecks. Automated data analysis algorithms are required for rapid and repeatable processing of mass spectra containing hundreds of peaks, the part of the spectra containing information. New data processing algorithms must work with minimal user input, both to save operator time and to eliminate inevitable operator bias. Toward this end an accurate mathematical algorithm is presented that automatically locates and calculates the area beneath peaks. The promising numerical performance of this algorithm applied to raw data is presented. Published by Elsevier Ltd.