期刊
ANALYTICA CHIMICA ACTA
卷 764, 期 -, 页码 32-43出版社
ELSEVIER
DOI: 10.1016/j.aca.2012.12.029
关键词
Compositional data; Detection limits; Expectation-Maximisation algorithm; Log-normal distribution; Log-ratio approach; Imputation methods
Samples representing part of a whole, usually called compositional data in statistics, are commonplace in analytical chemistry say chemical data in percentage, ppm, or mu g g(-1). Their distinctive feature is that there is an inherent relationship between all the analytes constituting a chemical sample as they only convey relative information. Some compositional data analysis principles and the log-ratio based methodology are outlined here in practical terms. Besides, one often finds that some analytes are not present in sufficient concentration in a sample to allow the measuring instruments to effectively detect them. These non-detects are usually labelled as
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