A structure refinement method is described which does not use integrated neutron powder intensities, single or overlapping, but employs directly the profile intensities obtained from step-scanning measurements of the powder diagram. Nuclear as well as magnetic structures can be refined, the latter only when their magnetic unit cell is equal to, or a multiple of, the nuclear cell. The least-squares refinement procedure allows, with a simple code, the introduction of linear or quadratic constraints between the parameters.

H. M. Rietveld

Journal of Applied Crystallography

凝聚态物质研究、材料科学和生命科学中的许多研究课题利用晶体学方法来研究具有中子、X 射线和电子的晶体和非晶体物质。发表在《应用晶体学杂志》上的文章重点介绍了这些方法及其在识别结构和扩散控制的相变、结构-性能关系、缺陷、界面和表面的结构变化等方面的应用。仪器和晶体学仪器的发展、理论和解释、数值分析和其他相关主题也包括在内。该杂志是晶体学计算机程序信息的主要发表地。

The Journal of Applied Crystallography focuses on various research topics in condensed matter physics, materials science, and life sciences, utilizing crystallographic methods to study the effects of neutrons, X-rays, and electrons on crystalline and amorphous materials. Articles published in this journal emphasize the application of these methods in identifying structures, controlling phase transitions, exploring structure-property relationships, and investigating defects, interfaces, and surface structural changes. Additionally, the journal covers the development of instruments and crystallographic tools, theoretical interpretations, numerical analyses, and other related subjects. It serves as a primary platform for publishing information on crystallographic computer programs.

《Journal of Applied Crystallography》专注于凝聚态物质研究、材料科学和生命科学中的多个研究课题，这些课题利用晶体学方法研究中子、X 射线和电子对晶体和非晶体物质的影响。该期刊发表的文章重点介绍这些方法在识别结构、控制相变、研究结构-性能关系、缺陷、界面及表面结构变化等方面的应用。此外，期刊还涵盖了仪器和晶体学仪器的发展、理论与解释、数值分析及其他相关主题。该杂志是晶体学计算机程序信息的主要发表平台。

Category	Quartile
材料科学	3
材料科学, 晶体学	2
材料科学, 化学综合	3

A profile refinement method for nuclear and magnetic structures

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