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

被引：1

作者：

Shaw, David G. ^{[1
,2
]}

Bruno, Ian ^{[3
]}

Chalk, Stuart ^{[4
]}

Hefter, Glenn ^{[5
]}

Hibbert, David Brynn ^{[6
]}

Hutchinson, Robin A. ^{[7
]}

Magalhaes, M. Clara F. ^{[8
,9
]}

Magee, Joseph ^{[10
]}

McEwen, Leah R. ^{[11
]}

Rumble, John ^{[12
]}

Russell, Gregory T. ^{[13
]}

Waghorne, Earle ^{[14
]}

Walczyk, Thomas ^{[15
]}

Wallington, Timothy J. ^{[16
]}

机构：

[1] Univ Alaska, Inst Marine Sci, Dept Chem, Fairbanks, AK 99775 USA

[2] Univ Alaska, Inst Marine Sci, Fairbanks, AK 99775 USA

[3] Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1EZ, England

[4] Univ North Florida, Dept Chem, Jacksonville, FL 32224 USA

[5] Murdoch Univ, Chem Dept, Murdoch, WA 6150, Australia

[6] UNSW Sydney, Sch Chem, Sydney, NSW 2052, Australia

[7] Queens Univ, Dept Chem Engn, Kingston, ON K7L 3N6, Canada

[8] UNSW Sydney, Sch Biol Earth & Environm Sci, Sydney, Australia

[9] Univ Lisbon, Inst Super Agron, Associated Lab TERRA, EAF Linking Landscape Environm Agr & Food Res Ctr, Tapada Da Ajuda, P-1349017 Lisbon, Portugal

[10] Natl Inst Stand & Technol, Thermodynam Res Ctr, Appl Chem & Mat Div, Boulder, CO 80305 USA

[11] Cornell Univ, Phys Sci Lib, Ithaca, NY 14853 USA

[12] R&R Data Serv, Gaithersburg, MD USA

[13] Sch Phys & Chem Sci, Private Bag 4800, Christchurch 8140, New Zealand

[14] Univ Coll Dublin, Sch Chem, Dublin D04V1W8, Ireland

[15] Natl Univ Singapore, Dept Chem, Singapore 117543, Singapore

[16] Ford Motor Co, Res & Adv Engn, Dearborn, MI 48121 USA

来源：

PURE AND APPLIED CHEMISTRY | 2023年 / 95卷 / 10期

关键词：

Chemical data; critical evaluation; IUPAC; measurement uncertainty; metrology; standard property values; FREE-RADICAL POLYMERIZATION; SOLUBILITY;

D O I：

10.1515/pac-2022-0802

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：1107 / 1120

页数：14

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