神话性化合物的神话性化合物
1Department of Chemistry, Purdue University, West Lafayette, IN 47907, USA.
Acta crystallographica. Section C, Structural chemistry
|October 24, 2023
概括
化学家应验证晶体结构数据的一致性. 最近的一项研究强调,需要确保报告的晶体学数据与已建立的化学原则保持一致,以确保可靠的科学报告.
科学领域:
- 晶体学 晶体学是指结晶学.
- 化学 化学 化学
- 数据科学数据科学数据科学
背景情况:
- 确保报告的科学数据的质量和一致性对于可靠的研究至关重要.
- 当前的验证方法可能并不总是充分审查晶体学数据.
- 结晶结构的化学上下文在验证中经常被忽视.
研究的目的:
- 提醒科学界,包括化学家,晶体学家,裁判员和编辑,关于晶体结构数据的潜在问题.
- 强调不仅要验证结构完整性的重要性,还要验证报告中的晶体结构的化学可信性.
- 倡导一个更彻底的方法来验证数据在晶体学.
主要方法:
- 审查和分析结晶学数据报告和验证的现有实践.
- 突出了雷蒙德和吉罗拉米关于对晶体结构数据的信任所提出的具体问题.
- 讨论结晶学发现与化学知识之间的交叉验证的必要性.
主要成果:
- 在没有批判性评估的情况下,不应该接受晶体结构数据的面值.
- 在晶体学中,有必要改进验证协议.
- 化学一致性检查对于稳健的数据质量保证至关重要.
结论:
- 科学家必须批判性地评估报告的晶体结构.
- 将化学知识整合到晶体学数据验证中至关重要.
- 采用更严格的方法将提高科学出版物的可靠性.
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