Iterative Projection Algorithms for protein crystallography
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Updated
Jul 30, 2024 - C++
Iterative Projection Algorithms for protein crystallography
This notebook deals with the data analysis of an X-ray Diffractogram as an alternative study to interpret the results obtained from a given material, whether crystalline or amorphous.
A package for calculating some bent Laue monochromator properties for synchrotron x-ray source..
A converter from PDF format Powder Diffraction File to CSV file.
An AI to predict critical events (cracks, fatigue) in a strained polycrystal from high-energy x-ray diffraction microscopy (HEDM) data, trained on simulated diffraction from crystal plasticity finite element (CPFE) simulations.
A tool for the automation of powder XRD data analysis in screening experiments
An application designed for the analysis and comparison of peaks in 2-D charts, with a primary focus on the analysis of X-ray powder diffraction data.
FullProf VSCode bring support to Visual Studio Code for FullProf pcr files.
Drag-and-Drop python file able to convert PDF .xml files to .csv from PDF-2013 on Mew XRD computer in 4319SES
Python code for obtain EOS for data.
Solutions to the Transport-of-Intensity Equation (Speckle-Tracking, Paganin Algorithm etc.,)
This script simulates the Laue transmission image for arbitrary lattice geometries.
Research, CV, Resume
Full and partial integration of multiple 2D diffractograms
Software and useful python tools for analyzing the STOE Image-plate Diffraction System (IPDS) diffraction patterns
Generate realistic powder diffraction patterns from CIFs
A set of scripts for constructing diffractograms taken in the operando mode during charge-discharge of the electrode material.
A Python package for extracting and simulating diffuse scattering of X-rays in protein crystals
Optimize and integrate 2d diffraction patterns into diffractograms (I vs θ)
Started June/July 2018 for physics internship under D.H. Ryan. Abandoned due to X-Ray Diffraction machine being broken.
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