Docente do PPGF/UFPA tem artigo escolhido como capa da revista JOURNAL OF APPLIED CRYSTALLOGRAPHY
Temos a grande satisfação em comunicar que o artigo intitulado “Introduction to Python Dynamic Diffraction Toolkit (PyDDT): structural refinement of single crystals via X-ray phase measurements”, publicado na revista JOURNAL OF APPLIED CRYSTALLOGRAPHY (JAC) (ISSN: 1600-5767), em julho 2023, de autoria do Prof. Cláudio Márcio Rocha Remédios em colaboração com pesquisadores de outras instituições brasileiras e estrangeiras, foi escolhido como capa da edição de outubro de 2023. Em 2023, a revista JAC alcançou um fator de impacto (JCR) 6.1.
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Abstract (sumário) do artigo
PyDDT is a free Python package of computer codes for exploiting X-ray dynamic multiple diffraction in single crystals. A wide range of tools are available for evaluating the usefulness of the method, planning feasible experiments, extracting phase information from experimental data and further improving model structures of known materials. Graphical tools are also useful in analytical methodologies related to the three-dimensional aspect of multiple diffraction. For general X-ray users, the PyDDT tutorials provide the insight needed to understand the principles of phase measurements and other related methodologies. Key points behind structure refinement using the current approach are presented, and the main features of PyDDT are illustrated for amino acid and filled skutterudite single crystals.