PYXIS, a software package based on the MATLAB platform, is suitable for the in-depth analysis of synchrotron X-ray Laue micro/nanodiffraction and energy scan data. The main objective of the software is to analyze the following three aspects of the data. First, in a single Laue diffraction pattern, it can remove the background, search and index the peaks, and obtain the crystal orientation and the elastic strain tensor. A novel zone-axis assisted indexing algorithm has been developed to speed up this process. Second, a batch of Laue patterns obtained from a scan can be analyzed simultaneously to map the orientation and strain distributions, which is achieved efficiently by applying a peak position comparison strategy. An analysis of a Laue microdiffraction scan of the cross section of Li₇La₃Zr₂O₁₂ solid-state electrolyte has been taken as an example in this article to illustrate these functions. The third unique function in PYXIS involves data mining of energy scans. Considering a Ni-based superalloy as an example, the energy scan data sets are processed to reconstruct the diffraction peaks in three dimensions, allowing extraction of the lattice constants, lattice misfit and dislocation characteristics from the peak profiles.

中文翻译：

---

PYXIS：同步加速器微/纳米衍射数据分析的集成软件包

PYXIS是基于MATLAB平台的软件包，适用于同步加速器X射线劳厄微纳衍射和能量扫描数据的深入分析。该软件的主要目标是分析以下三个方面的数据。首先，在单一劳厄衍射图中，可以去除背景，搜索并索引峰值，获得晶体取向和弹性应变张量。我们开发了一种新颖的区域轴辅助索引算法来加速这一过程。其次，可以同时分析从扫描获得的一批劳厄图案，以绘制方向和应变分布，这是通过应用峰位置比较策略有效实现的。本文以Li ₇ La ₃ Zr ₂ O ₁₂固态电解质横截面的劳厄微衍射扫描分析为例来说明这些功能。 PYXIS中的第三个独特功能涉及能量扫描的数据挖掘。以镍基高温合金为例，处理能量扫描数据集以重建三维衍射峰，从而可以从峰轮廓中提取晶格常数、晶格失配和位错特征。