# Numerical Representations of Metabolic Systems

## TL;DR

This paper introduces foundational theories for metabolomics data, distinguishing different data levels and emphasizing the importance of understanding data properties beyond mere numerical values.

## Contribution

It presents two fundamental theories—data theory and measurement theory—to systematically analyze the structure and properties of metabolomics data.

## Key findings

- Identified four distinct levels of metabolomics data with unique properties
- Warned against confusing data with mere numbers
- Provided a theoretical framework for metabolomics data analysis

## Abstract

Metabolomics is becoming a mature part of analytical chemistry as evidenced by the growing number of publications and attendees of international conferences dedicated to this topic. Yet, a systematic treatment of the fundamental structure and properties of metabolomics data is lagging behind. We want to fill this gap by introducing two fundamental theories concerning metabolomics data: data theory and measurement theory. Our approach is to ask simple questions, the answers of which require applying these theories to metabolomics. We show that we can distinguish at least four different levels of metabolomics data with different properties and warn against confusing data with numbers.