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Current Eurachem Guides

Assessment of performance and uncertainty in qualitative chemical analysis

Introduction

Mass spectrometric identification of pesticide in lettuceMany decisions with socio-economic or individual impact depend on qualitative analysis, including decisions related to food safety, clinical diagnosis, and forensic evidence, are based primarily on qualitative, rather than quantitative, chemical analysis. Qualitative analysis is analysis that returns a classification rather than a numerical value, such as the identity of a chemical substance, the type of plastic of a microparticle, the potential source of an oil spill, the presence of a banned sports doping substance, or the presence of accelerant in fire debris. Sometimes, such classifications rely solely on qualitative tests; others may use measurement results (such as line frequencies in a spectrum) to reach a conclusion.

Qualitative analysis, like quantitative analysis, needs to be demonstrably reliable. Part of the purpose of the guide is accordingly to show how the performance of a qualitative analysis procedure can be quantified to ensure its fitness for purpose. Practical difficulties and limitations in reliable quantification of low false result rates are discussed, and recommendations are made for checking the validity of these analyses. Brief recommendations are also made for ensuring that any measurements undertaken in the course of a qualitative analysis are reliable.

Although laboratories accredited following the ISO/IEC 17025 standard are not currently required to express qualitative analysis results with uncertainty, the guide provides some metrics that can be used to convey the level of confidence in conclusions from qualitative analysis. In addition, the guide provides suggestions for reporting results with an indication of confidence if desired. 

This guide does not make recommendations on whether or not laboratories should routinely report information on the confidence, or uncertainty, associated with qualitative analysis results. Nevertheless, an understanding of performance, or of the uncertainty associated with a qualitative analysis result, can help laboratories to better advise customers; it can also help to identify quality improvements or determine (for example) whether additional confirmatory tests might be needed.

This Eurachem/CITAC guide accordingly aims to provide some tools to help improve the quality of qualitative analysis and of their interpretation, to make sure that interests dependent on these analyses are well protected.

Content of the guide

This guide includes information on 

  • The nature and relevance of qualitative analysis.
  • Different types of qualitative analysis - for example, those that depend on qualitative tests alone, and others that use quantitative information to come to a conclusion.
  • Experimental and other strategies for estimating false response rates, which are fundamental to establishing reliability.
  • Expressions of confidence in qualitative analysis.
  • Reporting qualitative analysis results.
  • Examples showing how false response rates and other metrics can be determined.
  • The statistical basis for some important measures of confidence in a qualitative result.

 

Availability

The guide may be downloaded from this website at no cost.

* First published 2021-11-11. Publication dates above are dates of file publication on this website.

Translation

Translation into other languages is permitted for members of Eurachem. Other offers of translation should be directed to the Eurachem Secretariat for permission. The Eurachem policy on maintenance and development of Eurachem guidance, available on the Policies page, gives further information on translation.

Citation

This guidance should be cited* as
"R Bettencourt da Silva and S L R Ellison (eds.) Eurachem/CITAC Guide: Assessment of performance and uncertainty in qualitative chemical analysis. First Edition, Eurachem (2021). ISBN 978-0-948926-39-6.
Available from www.eurachem.org."

*Subject to journal requirements.

Previous editions

There are no earlier editions of this Guide.

The Fitness for Intended Use of Analytical Equipment and Systems (1st Ed)

The Fitness for Intended Use of Analytical Equipment and Systems - A Laboratory Guide to the Life Cycle of Analytical Equipment and Systems, their Qualification and Related Topics

Vampis converge txt outA wide variety of analytical equipment is used in analytical laboratories, ranging from simple apparatus to complex computer-based systems, to collect data that helps to obtain a reportable result. Many of these pieces of equipment combine a measurement function with software control. There are many ways to demonstrate that an equipment is qualified and under control, including qualification, calibration, validation and maintenance. To ensure ‘fitness for purpose’, an integrated approach based on risk assessment is recommended.

For the purposes of this guide, the term ‘equipment’ includes all apparatus, devices, instruments or instrument systems used in chemical, physical or biological analyses. The instruments form the basis for analytical work, from the development of the method to its validation and routine use. Without this stable foundation, the reliability of the entire process is questionable.

This document is a laboratory guide to the life cycle of analytical equipment and systems and their qualification for laboratories working to various standards and regulations. It is designed to help the laboratory management and staff and other users of analytical equipment to find a common nomenclature to meet the requirements efficiently, to do their work efficiently and to better understand the characteristics and limitations of the equipment.

The guide covers the entire lifespan of the equipment. It begins with the design, development and production of new equipment by the manufacturer. At the user's end, it covers all processes from the considerations involved in purchasing new equipment to commissioning, operation, maintenance, requalification and decommissioning. The main focus of attention is on the fitness for the intended use of the analytical equipment.

Availability

This guidance is available in the following languages:

Citation

This publication should be cited* as:
Ernst P. Halder (ed.) Eurachem Guide: The Fitness for Intended Use of Analytical Equipment and Systems – A Laboratory Guide to the Life Cycle of Analytical Equipment and Systems, their Qualification and Related Topics (1st ed. 2025). ISBN 978-0-948926-41-9. Available from http://www.eurachem.org

*Subject to journal requirements

Translations

Translation into other languages is permitted for members of Eurachem. Other offers of translation should be directed to the Eurachem Secretariat for permission. The Eurachem policy on maintenance and development of Eurachem guidance, available on the Policies page, gives further information on translation.

Feedback

The working group is very interested in feedback from readers, particularly from those who are directly involved in using equipment. Comments can be provided via the AE&SQ Contact Form on this website.

 

Harmonised Guidelines for the Use of Recovery Information in Analytical Measurements (1998)

This guide was produced by IUPAC with contributions from Eurachem.

Contents

It is recognised that the use of recovery information to correct/adjust analytical results is a contentious one for analytical chemists. Different sectors of analytical chemistry have different practices. Formal legislative requirements with regard to the use of recovery factors also vary sector-to-sector. It is the aim of IUPAC, however, to prepare general Guidelines which may be seen to aid the preparation of the “best estimate of the true result” and to contribute to the comparability of the analytical results reported. IUPAC Interdivisional Working Party on Harmonisation of Quality Assurance Schemes for Analytical Laboratories has co-operated with the International Organisation for Standardisation (ISO), the International Association of Official Analytical Chemists (AOAC Int.) and Eurachem to produce this guide. On the basis of contributions presented at the Symposium on Harmonisation of Quality Assurance Systems for Analytical Laboratories dedicated to the “Use of Recovery Factors in Analytical Chemistry” (September 1996, Orlando, USA; sponsored by IUPAC, ISO and AOAC Int.) a final document was prepared for publication by M. Thompson, S. L. R. Ellison, A. Fajgelj, P. Willetts and R. Wood. The document was submitted for publication in Pure and Applied Chemistry.
This document attempts to give Guidelines that are intended to be general in their scope and give recommendations that reflect common practice best able to achieve the comparability of analytical results. However, specific sectors of analytical chemistry will need to develop these Guidelines for their own requirements and the recommendations are not, therefore, to be seen as binding for all areas of analytical chemistry.

Availability

An English language version is available from A. Fajgelj, Quality Assurance Supervisor, International Atomic Energy Agency, Agency's Laboratories Seibersdorf, 2444 Seibersdorf, Austria. Tel.: +43 1 2600 28233, Fax: + 43 1 2600 28222, E-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.. Alternatively, you may download the guide from this website (pdf, 73 kB).

Translations

No other translations are currently available.

Metrological Traceability in Chemical Measurement - 2nd Edition (2019)

Contents

TrcFig2ttl 366x215This Guide gives detailed guidance for the establishment of metrological traceability in quantitative chemical analysis, based on the definition in the international vocabulary of basic and general terms in metrology (VIM). Though it is aimed principally at testing and measurement laboratories carrying out chemical measurement, the principles are expected to apply from routine analysis to basic research. The document is intended to assist laboratories in meeting the requirements on traceability of results given in ISO/IEC 17025.

This second edition amends the Guide to reflect revised terminology introduced in the third edition of the International Vocabulary of Metrology (VIM). Detailed discussion of the VIM terminology can be found in the Eurachem Guide “Terminology in Analytical Measurement: Introduction to VIM 3”.

Availability

You may download the guide directly from this website at no cost.

A Czech translation of the 2nd edition is also available as a part of the Eurachem.CZ guide "KVALIMETRIE 24", available at http://www.eurachem.cz/publikace-detail.php?clanek=18

Citation

This publication should be cited as follows*:

S L R Ellison and A Williams (Eds) Eurachem/CITAC Guide: Metrological traceability in chemical measurement
(2nd ed. 2019). ISBN: 978-0-948926-34-1. Available from www.eurachem.org.

*Subject to journal requirements

Translation

Translation into other languages is permitted for members of Eurachem. Other offers of translation should be directed to the Eurachem Secretariat for permission. The Eurachem policy on maintenance and development of Eurachem guidance, available on the Policies page, gives further information on translation.

The Selection and use of Reference Materials (2002)

Contents

The aim of this paper is to provide a short, simple and user-friendly guide for laboratories, and accreditation and certification bodies. It employs mainly ISO and VIM definitions and provides references to other more comprehensive and expert texts. It is intended to provide help for the inexperienced rather than the expert and necessarily simplifies some topics. It includes discussion and clarification of some misunderstood issues. Although based on the requirements of chemical measurement, it is intended to be also of use in other areas of measurement.

Availability

You may download the guide from this website at no cost (pdf, 165 kB).

Translations

Translation into other languages is permitted for members of Eurachem. Other offers of translation should be directed to the Eurachem Secretariat for permission. The Eurachem policy on maintenance and development of Eurachem guidance, available on the Policies page, gives further information on translation.