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

par Dellicour, Simon ;Lecocq, Thomas
Référence Journal of separation science, 36, 19, page (3206-3209)
Publication Publié, 2013-08-23

Article révisé par les pairs

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Résumé :

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. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.