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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
Author(s) -
Dellicour Simon,
Lecocq Thomas
Publication year - 2013
Publication title -
journal of separation science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.72
H-Index - 102
eISSN - 1615-9314
pISSN - 1615-9306
DOI - 10.1002/jssc.201300388
Subject(s) - matrix (chemical analysis) , sample (material) , table (database) , sample complexity , computer science , data matrix , algorithm , chemistry , data mining , chromatography , artificial intelligence , clade , biochemistry , gene , phylogenetic tree
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 .