How to Analyse Chemical Compounds? A Guide to Compositional Data Analysis Demonstrated with Beer Data

27 June 2019, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

In recent years, a lot of analysis was carried out to investigate data on chemical compositions of (non-)alcoholic beverages (whiskey, wine, beer, etc.) and food. However, no study has ever considered the compositional pitfalls inherent in such studies, which may lead to arbitrary results. Two approaches were compared, compositional data analysis (CoDa) and classical statistical analyses. The outcome of compositional data analysis methods provided very well-interpretable results. The method we are proposing is novel in the field of food chemistry, with demonstrated ability to analyse the chemical composition of drinks and food.

Keywords

chemical composition of drinks
chemometrics
compositional data analysis
log-ratio analysis
correlation
PCA

Comments

Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.