Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging [0.03%]
无监督学习在X射线单粒子成像中的应用
Yulong Zhuang,Salah Awel,Anton Barty et al.
Yulong Zhuang et al.
One of the outstanding analytical problems in X-ray single-particle imaging (SPI) is the classification of structural heterogeneity, which is especially difficult given the low signal-to-noise ratios of individual patterns and the fact that...
Shuyi Zong,Jingkang Wang,Xin Huang et al.
Shuyi Zong et al.
To understand the existence of complex meso-sized solute-rich clusters, which challenge the understanding of phases and phase equilibria, the formation and stabilization mechanisms of clusters in solution during nucleation of crystals and t...
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions [0.03%]
基于投影增强波函数密度和周期性边界条件的 Hirshfeld 原子精修法
Paul Niklas Ruth,Regine Herbst-Irmer,Dietmar Stalke
Paul Niklas Ruth
Hirshfeld atom refinement (HAR) is an X-ray diffraction refinement method that, in numerous publications, has been shown to give H-atom bond lengths in close agreement with neutron diffraction derived values. Presented here is a first evalu...
Preferred orientation and its effects on intensity-correlation measurements [0.03%]
texture及其对强度相关测量的影响
Jack Binns,Connie Darmanin,Cameron M Kewish et al.
Jack Binns et al.
Intensity-correlation measurements allow access to nanostructural information on a range of ordered and disordered materials beyond traditional pair-correlation methods. In real space, this information can be expressed in terms of a pair-an...
Quantitative analysis of the effect of radiation on mitochondria structure using coherent diffraction imaging with a clustering algorithm [0.03%]
基于聚类算法的相干衍射成像的辐射对线粒体结构影响的定量分析
Dan Pan,Jiadong Fan,Zhenzhen Nie et al.
Dan Pan et al.
Radiation damage and a low signal-to-noise ratio are the primary factors that limit spatial resolution in coherent diffraction imaging (CDI) of biomaterials using X-ray sources. Introduced here is a clustering algorithm named ConvRe based o...
Static and dynamic components of Debye-Waller coefficients in the novel cubic polymorph of low-temperature disordered Cu2ZnSnS4 [0.03%]
低温无序Cu₂ZnSnS₄新型立方多晶形态的Debye-Waller系数的静态和动态组成
Eleonora Isotta,Binayak Mukherjee,Sebastian Bette et al.
Eleonora Isotta et al.
Cu2ZnSnS4 (CZTS) is an attractive material for sustainable photovoltaics and thermoelectrics, and several properties originate from its marked polymorphism. High-energy mechanical alloying is found to lead to a disordered phase that possess...
High-speed high-resolution data collection on a 200 keV cryo-TEM [0.03%]
一种在200千伏低温透射电子显微镜上进行高速高分辨率数据采集的方法
Jared V Peck,Jonathan F Fay,Joshua D Strauss
Jared V Peck
Limitations to successful single-particle cryo-electron microscopy (cryo-EM) projects include stable sample generation, production of quality cryo-EM grids with randomly oriented particles embedded in thin vitreous ice and access to microsc...
X-ray structure of the Rhodobacter sphaeroides reaction center with an M197 Phe→His substitution clarifies the properties of the mutant complex [0.03%]
视紫红质细菌反应中心M197 Phe→His突变复合物的晶体结构解释了该突变复合物的性质
Georgii Selikhanov,Tatiana Fufina,Sebastian Guenther et al.
Georgii Selikhanov et al.
The first steps of the global process of photosynthesis take place in specialized membrane pigment-protein complexes called photosynthetic reaction centers (RCs). The RC of the photosynthetic purple bacterium Rhodobacter sphaeroides, a rela...
Max T B Clabbers,Anna Shiriaeva,Tamir Gonen
Max T B Clabbers
This article documents a keynote seminar presented at the IUCr Congress in Prague, 2021. The cryo-EM method microcrystal electron diffraction is described and put in the context of macromolecular electron crystallography from its origins in...
Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K [0.03%]
与火星和伽利略冰月有关的晶体学：钾石盐型单 hydrate 硫酸盐在地外条件下（低至 15K）的行为
Manfred Wildner,Boris A Zakharov,Nikita E Bogdanov et al.
Manfred Wildner et al.
Monohydrate sulfate kieserites (M 2+SO4·H2O) and their solid solutions are essential constituents on the surface of Mars and most likely also on Galilean icy moons in our solar system. Phase stabilities of end-member representatives (M 2+ ...