Chemical data evaluation: general considerations and approaches for IUPAC projects and the chemistry community (IUPAC Technical Report)

Author:

Shaw David G.1ORCID,Bruno Ian2ORCID,Chalk Stuart3ORCID,Hefter Glenn4ORCID,Hibbert David Brynn5ORCID,Hutchinson Robin A.6ORCID,Magalhães M. Clara F.78ORCID,Magee Joseph9ORCID,McEwen Leah R.10ORCID,Rumble John11ORCID,Russell Gregory T.12ORCID,Waghorne Earle13ORCID,Walczyk Thomas14ORCID,Wallington Timothy J.15ORCID

Affiliation:

1. Dept. Chemistry and Institute of Marine Science , Univ. Alaska , Fairbanks , USA

2. Cambridge Crystallographic Data Centre , 12 Union Road , Cambridge CB2 1EZ , UK

3. Dept. Chemistry , Univ. North Florida , Jacksonville , FL 32224 , USA

4. Chemistry Dept. , Murdoch Univ. , Murdoch , WA 6150 , Australia

5. School of Chemistry , UNSW Sydney , Sydney , NSW 2052 , Australia

6. Dept. Chemical Engineering , Queen’s University , Kingston , ON K7L 3N6 , Canada

7. School of Biological, Earth and Environmental Sciences , UNSW Sydney , Sydney , Australia

8. LEAF – Linking Landscape, Environment, Agriculture and Food Research Center, Associated Laboratory TERRA , Instituto Superior de Agronomia, Universidade de Lisboa , Tapada da Ajuda, 1349-017 Lisboa , Portugal

9. National Institute of Standards and Technology, Applied Chemicals and Materials Division, Thermodynamics Research Center , Boulder , CO 80305-3328 , USA

10. Physical Sciences Library , Cornell Univ. , Ithaca , NY 14853 , USA

11. R&R Data Services , Gaithersburg , MD , USA

12. School of Physical and Chemical Sciences , Private Bag 4800 , Christchurch 8140 , New Zealand

13. School of Chemistry , Univ. College Dublin , Dublin , D04 V1W8 , Ireland

14. Department of Chemistry , National University of Singapore , 117543 Singapore , Singapore

15. Research & Advanced Engineering , Ford Motor Company , Dearborn , MI 48121 , USA

Abstract

Abstract The International Union of Pure and Applied Chemistry has a long tradition of supporting the compilation of chemical data and their evaluation through direct projects, nomenclature and terminology work, and partnerships with international scientific bodies, government agencies, and other organizations. The IUPAC Interdivisional Subcommittee on Critical Evaluation of Data has been established to provide guidance on issues related to the evaluation of chemical data. In this first report, we define the general principles of the evaluation of scientific data and describe best practices and approaches to data evaluation in chemistry.

Publisher

Walter de Gruyter GmbH

Subject

General Chemical Engineering,General Chemistry

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