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This is a list of free and open-source software for geological data handling and interpretation. The list is split into broad categories, depending on the intended use of the software and its scope of functionality. Notice that 'free and open-source' requires that the source code is available and users are given a free software license.
Reflection positions and intensities of known crystal phases, mostly from X-ray diffraction data, are stored, as d-I data pairs, in the Powder Diffraction File database. The list of d-I data pairs is highly characteristic of a crystal phase and, thus, suitable for the identification, also called ‘fingerprinting’, of crystal phases. [16]
X-ray diffraction computed tomography is an experimental technique that combines X-ray diffraction with the computed tomography data acquisition approach. X-ray diffraction (XRD) computed tomography (CT) was first introduced in 1987 by Harding et al. [ 1 ] using a laboratory diffractometer and a monochromatic X-ray pencil beam .
It also publishes the journals Advances in X-ray Analysis and Powder Diffraction. In 2019, Materials Data, also known as MDI, merged with ICDD. Materials Data creates JADE software used to collect, analyze, and simulate XRD data and solve issues in an array of materials science projects.
X-ray crystal truncation rod scattering is a powerful method in surface science, based on analysis of surface X-ray diffraction (SXRD) patterns from a crystalline surface. For an infinite crystal , the diffracted pattern is concentrated in Dirac delta function like Bragg peaks .
The use of computational methods for the powder X-ray diffraction data analysis is now generalized. It typically compares the experimental data to the simulated diffractogram of a model structure, taking into account the instrumental parameters, and refines the structural or microstructural parameters of the model using least squares based ...
The Scherrer equation, in X-ray diffraction and crystallography, is a formula that relates the size of sub-micrometre crystallites in a solid to the broadening of a peak in a diffraction pattern. It is often referred to, incorrectly, as a formula for particle size measurement or analysis. It is named after Paul Scherrer.
Data Analysis Expressions (DAX) is the native formula and query language for Microsoft PowerPivot, Power BI Desktop and SQL Server Analysis Services (SSAS) Tabular models. DAX includes some of the functions that are used in Excel formulas with additional functions that are designed to work with relational data and perform dynamic aggregation .