RootProf: software for multivariate analysis of unidimensional profiles
RootProf: software for multivariate analysis of unidimensional profiles
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DOI：
10.1107/s1600576714005895
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发表时间：
2014-06-01
影响因子：
6.1
通讯作者：
Belviso, Danilo Benny
中科院分区：
文献类型：
--
作者：
Caliandro, Rocco;Belviso, Danilo Benny
RootProf是一个多用途的程序，它实现了一维轮廓的多变量分析。对相关样本或通过改变一些外部刺激对同一样本进行的一系列测量进行分析，以找出数据中的趋势，对其进行分类并提取定量信息。定性分析采用主成分分析或相关分析。在这两种情况下，数据集被投影到潜在变量空间中，在该空间中，聚类算法对数据点进行分类。群体分离是通过统计工具量化的。一系列剖面的定量相分析是通过全剖面拟合或展开过程来实现的，并依赖于各种前处理方法。只要提供了一些样品的先验信息，就可以应用有监督的定量分析。RootProf可以应用于来自不同技术的测量，这些技术可以通过协方差分析进行组合。通过对粉末衍射数据的具体分析，可以估计晶区的平均大小。RootProf借鉴了Root框架的图形和数据分析功能，该框架是为高能物理实验开发的。
RootProf is a multi-purpose program which implements multivariate analysis of unidimensional profiles. Series of measurements, performed on related samples or on the same sample by varying some external stimulus, are analysed to find trends in data, classify them and extract quantitative information. Qualitative analysis is performed by using principal component analysis or correlation analysis. In both cases the data set is projected in a latent variable space, where a clustering algorithm classifies data points. Group separation is quantified by statistical tools. Quantitative phase analysis of a series of profiles is implemented by whole-profile fitting or by an unfolding procedure, and relies on a variety of pre-processing methods. Supervised quantitative analysis can be applied, provided a priori information on some samples is provided. RootProf can be applied to measurements from different techniques, which can be combined by means of a covariance analysis. A specific analysis for powder diffraction data allows estimation of the average size of crystal domains. RootProf borrows its graphics and data analysis capabilities from the Root framework, developed for high-energy physics experiments.