{"title":"晶体衍射和拟合数据的度量：对现有数据的回顾和对新数据的需求","authors":"Julian Henn","doi":"10.1080/0889311X.2019.1607845","DOIUrl":null,"url":null,"abstract":"ABSTRACT In this review the state of the art in metrics for single crystal diffraction data and suggested new developments are described. The focus is on how these metrics can help or prevent not only to describe the data but also to give hints towards unresolved modelling problems, identifying systematic errors and their sources.","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"156 - 83"},"PeriodicalIF":2.0000,"publicationDate":"2019-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1607845","citationCount":"2","resultStr":"{\"title\":\"Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones\",\"authors\":\"Julian Henn\",\"doi\":\"10.1080/0889311X.2019.1607845\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"ABSTRACT In this review the state of the art in metrics for single crystal diffraction data and suggested new developments are described. The focus is on how these metrics can help or prevent not only to describe the data but also to give hints towards unresolved modelling problems, identifying systematic errors and their sources.\",\"PeriodicalId\":54385,\"journal\":{\"name\":\"Crystallography Reviews\",\"volume\":\"25 1\",\"pages\":\"156 - 83\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2019-04-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1080/0889311X.2019.1607845\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Crystallography Reviews\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1080/0889311X.2019.1607845\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Crystallography Reviews","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1080/0889311X.2019.1607845","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones
ABSTRACT In this review the state of the art in metrics for single crystal diffraction data and suggested new developments are described. The focus is on how these metrics can help or prevent not only to describe the data but also to give hints towards unresolved modelling problems, identifying systematic errors and their sources.
期刊介绍：
Crystallography Reviews publishes English language reviews on topics in crystallography and crystal growth, covering all theoretical and applied aspects of biological, chemical, industrial, mineralogical and physical crystallography. The intended readership is the crystallographic community at large, as well as scientists working in related fields of interest. It is hoped that the articles will be accessible to all these, and not just specialists in each topic. Full reviews are typically 20 to 80 journal pages long with hundreds of references and the journal also welcomes shorter topical, book, historical, evaluation, biographical, data and key issues reviews.
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