信源:https://journals.iucr.org/services/cif/checking/checkreport.html#alerts The following information is organized in question-and-answer format. You can read through the questions in order, or click on any of the questions to jump directly to the answer. When you're ready to run a report, go to the checkCIF home page. | 以下信息以问答形式组织。您可以按顺序阅读问题,也可以单击任何问题直接跳转到答案。当您准备好运行报告时,请转到checkCIF主页。 |
If you have any queries about the checkCIF/PLATON tests or submission procedures that are not answered below, please contact helpcif@iucr.org. | 如果您对以下未回答的checkCIF/PLATON测试或提交程序有任何疑问,请联系helpcif@iucr.org. |
Which types of report are available? Which types of report do I need to run? What do I need to do about alerts? How do I complete a VRF? How do I submit a CIF to an IUCr journal? How do I find details of a particular test? What if the report includes incorrect alerts? | 有哪些类型的报告可用? 我需要运行哪种类型的报告? 我需要对警报做些什么? 如何完成VRF? 如何向IUCr期刊提交CIF? 如何查找特定测试的详细信息? 如果报告中包含不正确的警报,该怎么办? |
Which types of report are available? | 有哪些类型的报告可用? | Two main types of report are available. For details of which type of report you should run, see below. | 有两种主要类型的报告可用。有关应运行哪种类型的报告的详细信息,请参阅以下内容。 | Basic structural check | 基本结构检查 | Basic checks to ensure that the information in your CIF is self-consistent, including: | 基本检查以确保CIF中的信息是一致的,包括: | CIF syntax and construction Cell and geometry details Space-group symmetry | CIF语法和结构 晶胞和几何结构详细信息 空间群对称性 | Full publication check | 完整出版物检查 | Full set of checkCIF/PLATON tests, including publication checks: | 全套checkCIF/PLATON测试,包括出版物检查: | CIF syntax and construction Cell and geometry details Space-group symmetry Anisotropic displacement parameters Publication items Structure factors | CIF语法和结构 晶胞和几何结构详细信息 空间群对称性 各向异性位移参数 出版物项目 结构因子 |
Which types of report do I need to run? | 我需要运行哪种类型的报告? | If you intend to submit to Acta Crystallographica Section C or E, you should make sure that full publication checks are run on your CIF prior to submission. If you intend to submit to another section of Acta Crystallographica, Journal of Applied Crystallography or Journal of Synchrotron Radiation, you should make sure that at least basic structural checks are run on your CIF prior to submission. | 如果您打算向《晶体学报》C节或E节投稿,您应确保在提交之前对您的CIF进行了完整出版物检查。如果您打算提交给《晶体学报》的另一节、《应用晶体学杂志》或《同步辐射杂志》,您应确保在提交之前至少对CIF进行了基本结构检查。 |
What do I need to do about alerts? | 我需要对警报做些什么? | You should always attempt to resolve as many as possible of the alerts in all categories. Often the minor alerts point to easily fixed oversights, errors and omissions in your CIF or refinement strategy, so attention to these fine details can be worthwhile. In order to resolve some of the more serious problems it may be necessary to carry out additional measurements or structure refinements. However, the nature of your study may justify the reported deviations from the submission requirements of the journal and these should be commented upon in the discussion or experimental section of a paper - after all, they might represent an interesting feature. | 您应始终尝试解决所有类别中尽可能多的警报。通常,小警报指向您的CIF或精修策略中容易修复的疏忽、错误和遗漏,因此值得关注这些细微的细节。为了解决一些更严重的问题,可能需要进行额外的测量或结构精修。然而,你的研究性质可能会证明所报告的与期刊提交要求的偏差是合理的,这些偏差应该在论文的讨论或实验部分进行评论——毕竟,它们可能代表了一个有趣的特征。 | If level A alerts remain, which you believe to be justified deviations, and you intend to submit your CIF for publication in Acta Crystallographica Section C or E, you should additionally insert an explanation in your CIF using the Validation Reply Form (VRF). Your explanation will be assessed during the review process. | 如果A级警报仍然存在,您认为这是合理的偏差,并且您打算提交您的CIF以在《晶体学报》第C或E节中发表,您应该使用验证回复表(VRF)在您的CIF中额外插入解释。您的解释将在审稿过程中进行评估。 |
How do I complete a VRF? | 如何完成VRF? | It is preferable for explanatory text to be placed in the relevant fields in the CIF such as _publ_section_exptl_refinement. If the explanation of a problem is given in the CIF in this way, the corresponding entry in the VRF may simply read `see _publ_section_exptl_refinement'. The completed VRF should be inserted in the CIF immediately after the first datablock identifier. Ideally, the VRF should be added to the CIF using publCIF. | 最好将解释性文本放在CIF的相关字段中,例如_publ_section_exptl_refinement。如果以这种方式在CIF中给出问题的解释,则VRF中的相应条目可以简单地读取“see _publ_section_exptl_refinement”。完成的VRF应在第一个数据块标识符之后立即插入CIF中。理想情况下,应使用publCIF将VRF添加到CIF中。 |
How do I submit a CIF to an IUCr journal? | 如何向IUCr期刊提交CIF? | If you wish to submit your CIF for publication in Acta Crystallographica Section C or E, you should upload your CIF via the web. If your CIF is to form part of a submission to another IUCr journal, you will be asked, either during electronic submission or by the Co-editor handling your paper, to upload your CIF via our web site. | 如果您希望提交您的CIF以在《晶体学报》第C或E节中发表,您应该通过网络上传您的CIF。如果您的CIF是提交给另一份IUCr期刊的一部分,您将被要求在电子提交过程中或由处理您论文的联合编辑通过我们的网站上传您的CIF。 |
How do I find details of a particular test? | 如何查找特定测试的详细信息? | Each test for which there is an alert is hyperlinked from the report page. Just follow the hyperlink to find out more details of the test. A full list of checkCIF/PLATON tests is also available. | 存在警报的每个测试都从报告页面进行超链接。只需按照超链接了解测试的更多详细信息。还提供了checkCIF/PLATON测试的完整列表。 |
What if the report includes incorrect alerts? | 如果报告中包含不正确的警报,该怎么办? | Please note that the checking programs are constantly being updated. It is possible that some of the alerts will not be relevant to your particular study (e.g. high-pressure studies, powder data, incommensurate structures etc). We would appreciate feedback if checkCIF/PLATON gives a large number of incorrect alerts for your CIF. Please also contact us if you would be interested in volunteering to help develop the checkCIF/PLATON service. If you have any further queries about the checkCIF/PLATON tests or submission procedures, please contact helpcif@iucr.org . | 请注意,检查程序持续不断更新。有些警报可能与您的特定研究无关(例如高压研究、粉末数据、非公度结构等)。如果checkCIF/PLATON为您的CIF提供大量不正确的警报,我们将感谢您的反馈。如果您有兴趣自愿帮助开发checkCIF/PLATON服务,也请与我们联系。如果您对checkCIF/PLATON测试或提交程序有任何进一步的疑问,请联系helpcif@iucr.org。 |
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