cif2hkl
A program that computes structure factors |F^2| for neutrons, x-rays, and electrons.
*cif2hkl* - CrysFML based utility for generating .lau/.laz files for e.g. McStas.
*Purpose* : Reads a CIF/CFL/SHX/PCR crystallographic description and generates a HKL F^2 reflection list.
Keywords: McStas, McXtrace, CrysFML, structure factor
Resource type: Git
cif2hkl
https://gitlab.com/soleil-data-treatment/soleil-software-projects/cif2hkl
https://pan-training.eu/materials/cif2hkl
A program that computes structure factors |F^2| for neutrons, x-rays, and electrons.
*cif2hkl* - CrysFML based utility for generating .lau/.laz files for e.g. McStas.
*Purpose* : Reads a CIF/CFL/SHX/PCR crystallographic description and generates a HKL F^2 reflection list.
McStas, McXtrace, CrysFML, structure factor
iFit: a simple library to analyze data
The iFit library (pronounce [eye-fit]) is a set of methods to load, analyze, plot, fit and optimize scientific data sets and models, and export results. iFit is based on Matlab, but can also be launched without Matlab license (stand-alone version).Matlab The library focuses on doing the math...
Keywords: McStas, DFT, phonons, matlab
Resource type: Git, tool
iFit: a simple library to analyze data
https://gitlab.com/soleil-data-treatment/soleil-software-projects/ifit
https://pan-training.eu/materials/ifit-a-simple-library-to-analyze-data
The iFit library (pronounce [eye-fit]) is a set of methods to load, analyze, plot, fit and optimize scientific data sets and models, and export results. iFit is based on Matlab, but can also be launched without Matlab license (stand-alone version).Matlab The library focuses on doing the math right. Any text file can be imported straight away, and a large set of binary files are supported. Any data dimensionality can be handled, including event based data sets (even though not all methods do work for these). Any model can be assembled for fitting data sets.
McStas, DFT, phonons, matlab
McStas and McXtrace schools
This repository contains teaching material related to McStas and McXtrace schools 2019-
Keywords: McStas, McXtrace, simulation, neutron simulation, x-ray simulation
Resource type: git, tutorial, slides, e-learning
McStas and McXtrace schools
https://github.com/McStasMcXtrace/Schools
https://pan-training.eu/materials/mcstas-and-mcxtrace-schools
This repository contains teaching material related to McStas and McXtrace schools 2019-
McStas, McXtrace, simulation, neutron simulation, x-ray simulation
PaN Community
beamline users
CrystFEL tutorial
This tutorial covers most of the main steps of using CrystFEL, and is based on processing some freely available LCLS data. The aim of this page is to give an overall idea of how the programs fit together and equip you with the knowledge you need to get started with processing a serial...
Keywords: CrystFEL, data processing, crystallography, structural biology
Resource type: tutorial
CrystFEL tutorial
https://www.desy.de/~twhite/crystfel/tutorial.html
https://pan-training.eu/materials/crystfel-tutorial
This tutorial covers most of the main steps of using CrystFEL, and is based on processing some freely available LCLS data. The aim of this page is to give an overall idea of how the programs fit together and equip you with the knowledge you need to get started with processing a serial crystallography data set on your own.
CrystFEL, data processing, crystallography, structural biology
Photon Community
crystallography