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GCALIGNER 1.0:一个对齐程序,用于计算通过 GC 获得的大型生态化学数据集的多个样本比较数据矩阵。

GCALIGNER 1.0: an alignment program to compute a multiple sample comparison data matrix from large eco-chemical datasets obtained by GC.

机构信息

Evolutionary Biology and Ecology, Université Libre de Bruxelles, Brussels, Belgium.

出版信息

J Sep Sci. 2013 Oct;36(19):3206-9. doi: 10.1002/jssc.201300388. Epub 2013 Aug 23.

Abstract

GCALIGNER 1.0 is a computer program designed to perform a preliminary data comparison matrix of chemical data obtained by GC without MS information. The alignment algorithm is based on the comparison between the retention times of each detected compound in a sample. In this paper, we test the GCALIGNER efficiency on three datasets of the chemical secretions of bumble bees. The algorithm performs the alignment with a low error rate (<3%). GCALIGNER 1.0 is a useful, simple and free program based on an algorithm that enables the alignment of table-type data from GC.

摘要

GCALIGNER 1.0 是一个计算机程序,用于对没有 MS 信息的 GC 获得的化学数据进行初步的数据比较矩阵。该对齐算法基于样品中每个检测化合物的保留时间之间的比较。在本文中,我们在三个熊蜂化学分泌物数据集上测试了 GCALIGNER 的效率。该算法的对齐错误率较低(<3%)。GCALIGNER 1.0 是一个有用、简单且免费的程序,它基于一个算法,可实现 GC 表型数据的对齐。

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