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While results visualization is a critical phase to the communication of new academic results, plots are frequently shared without the complete combination of code, input data, execution context and outputs required to independently…
Machine learning techniques have successfully been used to extract structural information such as the crystal space group from powder X-ray diffractograms. However, training directly on simulated diffractograms from databases such as the…
A cloud-hosted web-based software application, nmfMapping, for carrying out a nonnegative matrix factorization of a set of powder diffraction or atomic pair distribution function datasets is described. This app allows structure scientists…
We present a simplified model for dynamical diffraction of particles through a periodic thick perfect crystal based on repeated application of a coherent beam splitting unitary at coarse-grained lattice sites. By demanding translational…
We present Firefly, a new browser-based interactive tool for visualizing 3D particle data sets. On a typical personal computer, Firefly can simultaneously render and enable real-time interactions with > ~10 million particles, and can…
Understanding the processes of perovskite crystallization is essential for improving the properties of organic solar cells. In situ real-time grazing-incidence X-ray diffraction (GIXD) is a key technique for this task, but it produces large…
Analyzing large X-ray diffraction (XRD) datasets is a key step in high-throughput mapping of the compositional phase diagrams of combinatorial materials libraries. Optimizing and automating this task can help accelerate the process of…
We present a description of the design and usage of a new synoptic pipeline and database model for time series photometry in the VISTA Data Flow System (VDFS). All UKIRT-WFCAM data and most of the VISTA main survey data will be processed…
Electron backscatter diffraction (EBSD) is a well-established method of characterisation for crystalline materials. This technique can rapidly acquire and index diffraction patterns to provide phase and orientation information about the…
diffpy$.$morph addresses a need to gain scientific insights from 1D scientific spectra in model independent ways. A powerful approach for this is to take differences between pairs of spectra and look for meaningful changes that might…
Scanning transmission electron microscopy (STEM) allows for imaging, diffraction, and spectroscopy of materials on length scales ranging from microns to atoms. By using a high-speed, direct electron detector, it is now possible to record a…
Multiphase powder X-ray diffraction (PXRD) analysis remains a fundamental bottleneck in structure identification, as real-world synthesis often produces complex mixtures whose constituent phases (components) cannot be reliably disentangled.…
Recent regulations, such as the European General Data Protection Regulation (GDPR), put stringent constraints on the handling of personal data. Privacy, like security, is a non-functional property, yet most software design tools are focused…
In-situ small- and wide-angle scattering experiments at synchrotrons often result in massive amounts of data within seconds only. Especially during such beamtimes, processing of the acquired data online, so without mentionable delay, is key…
In this article we introduce PINGSoft, a set of IDL routines designed to visualise and manipulate, in an interactive and friendly way, Integral Field Spectroscopic data. The package is optimised for large databases and a fast visualisation…
A suite of acquisition applications related to the 4D-STEM technique is presented as a software package written within the Digital Micrograph environment, which is a widely used software platform in worldwide electron microscopy…
Recent advances in diffusion models have enabled the creation of deceptively real images, posing significant security risks when misused. In this study, we empirically show that different timesteps of DDIM inversion reveal varying subtle…
Filtergraph is a web application being developed by the Vanderbilt Initiative in Data-intensive Astrophysics (VIDA) to flexibly handle a large variety of astronomy datasets. While current datasets at Vanderbilt are being used to search for…
The scientific community use PDEs to model a range of problems. The people in this domain are interested in visualizing their results, but existing mechanisms for visualization can not handle the full richness of computations in the domain.…
Microwave Imaging is an essential technique for reconstructing the electrical properties of an inaccessible medium. Many approaches have been proposed employing algorithms to solve the Electromagnetic Inverse Scattering Problem associated…