CrystalMaker SingleCrystal 5.2.0.300

SingleCrystal是一个综合的化学绘图分析软件，可以使用各种各样的辅助技术来显示模拟的X射线，中子和电子衍射图案。该应用程序主要用于化学和物理学生和专业人员。生成立体投影的能力使其成为教师特别有用的工具。任何热衷于晶体衍射图案的人也将从中获得价值。

SingleCrystal具有依赖于多个帧的多层接口。多个快速链接按钮装饰在主窗口的顶部。还存在许多菜单项，并且所有考虑的这些事情都有可能使程序的界面复杂化。然而，因为图形表示是高度信息的，大多数菜单只处理微调。资源可以加载多种类型的文件，从专门的，程序特定的图形文档到常见的图像，如GIF，JPEG，BMP和PNG。一旦加载了有效的文件，程序将显示水晶，并附有立体投影。

这是该实用程序的核心功能，因为它可以查看向量的角位置。为了更精确，可以加载衍射图像并比较所得到的图案。可以标记反射，软件允许用户测量衍射点之间的参数，例如距离和角度。用户可以自由旋转源晶体，这样可以实现对上述角度和距离的感知。该工具还允许用户保存会话，以及将投影导出为基于像素或矢量的格式，以便快速传播。

File size: 73.1 MB

From the classroom to the laboratory to the synchrotron: SingleCrystal is the easiest way to visualize and understand diffraction and morphological properties of crystals. SingleCrystal lets you simulate multi-phase X-ray, neutron and electron diffraction patterns, display reciprocal lattices (in 2D or 3D), visualize Brillouin zones and construct stereographic projections of planes or vectors. By combining a simulated pattern with an observed diffraction image, you can auto-index the pattern and determine the orientation of your crystal.

Crystal Shapes
SingleCrystal lets you build crystal shapes quickly and easily. Just enter one or more faces and let SingleCrystal calculate their symmetry-relations. Click-and-drag slider controls to set the face positions (“Wulff Construction”) then you can measure interfacial angles or vertex relationships.
Since SingleCrystal is a multi-pattern/structure program by design, you can combine multiple shapes to compare chiral effects (e.g., left- and right-handed quartz), or to understand twinning relationships, such as this “Carlsbad Twin” in potassium feldspar:-

Stereographic Projections
To help you navigate through diffraction space, you can take advantage of a live stereographic projection (“stereogram”) which can be displayed full size, or in miniature, as an orientation guide. The stereogram shows the angular positions of plane normals or lattice vectors (zone axes) plotted as poles and optionally as great- or small-circle traces.
A dedicated Stereogram Inspector lets you add poles (or request that SingleCrystal automatically add poles to a maximum hkl, or add symmetry-related poles). You can group poles by symmetry or N value, colour them – and use the extensive Projection controls to customize display attributes such as stereonet, line widths, pole and font sizes, etc.

Fourier Transforms
You can instantly generate a Fourier Transform from any displayed image or diffraction pattern. Alternatively, you can show an interactive Fourier Transform view as you work. The Fourier Transform pane even has its own scale bar and ruler: a great way to understand reciprocal relationships.
SingleCrystal includes an extensive library of Fourier Transform “masks” and patterns, designed to reinforce teaching on “optical” diffraction and the concept of “convolution”.

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