TIMEleSS Multigrain Wiki - software

dioptas

Anonymous (anonymous@undisclosed.example.com) — 2019-02-18T10:11:59+00:00

Dioptas As taken from the DIOPTAS homepage Dioptas is a Python-based program for on-the-fly data processing and exploration of two-dimensional X-ray diffraction area detector data. It is specifically designed for the large amount of data collected at XRD beamlines at synchrotrons. Its fast data reduction algorithm and graphical data exploration capabilities make it ideal for online data processing during XRD experiments and batch post-processing of large numbers of images.

fabian

Anonymous (anonymous@undisclosed.example.com) — 2019-02-21T06:38:46+00:00

Fabian Fabian is designed for the purpose of viewing image file series. In particular such diffraction image files obtained from synchrotron experiments. It was originally written by Henning Osholm Sørensen & Erik Knudsen from the Technical University of Denmark.

fit2d

Anonymous (anonymous@undisclosed.example.com) — 2019-02-18T10:11:59+00:00

Fit2D As taken from the Fit2D homepage FIT2D is both a general purpose and specialist 1 and 2 dimensional data analysis program, used on most of the European Synchrotron Research Facility beam-lines and by many other crystallography groups throughout the world. FIT2D is used for both interactive and

fitallb

Anonymous (anonymous@undisclosed.example.com) — 2020-04-08T08:09:24+00:00

FitAllB FitAllB is tailored to do centre-of-mass (COM) refinements of grain orientations, positions and strain tensors from far-field images of a polycrystalline material. The name FitAllB originates because the routine fits all Bi (1), the grain specific reciprocal space metrics, which contain information about the strain states of the individual grains.

gettingstartedmax

Anonymous (anonymous@undisclosed.example.com) — 2023-12-09T21:26:58+00:00

Getting started on a mac A minimal set of data processing tools could include * Fabian : to look at diffraction images and median calculations * ImageD11: script for peak search, experimental parameters refinement, peak assignment, can do grain indexing, and many others

grainspotter

Anonymous (anonymous@undisclosed.example.com) — 2019-09-04T09:38:56+00:00

GrainSpotter GrainSpotter is a software which looks for grains in a 2D diffraction image. It was developed by S. Schmidt, Technical University of Denmark. See the publication for more information: Søren Schmidt GrainSpotter: a fast and robust polycrystalline indexing algorithm

imaged11

Anonymous (anonymous@undisclosed.example.com) — 2019-11-28T13:35:44+00:00

ImageD11 Installing ImageD11 ImageD11 is written and maintained by John Wright from ESRF and has an extensive manual available here . Necessary Hardware and Software First of all, you will need Linux, either as a separate harddrive (with lots of memory space) or as a virtual machine on your Windows/Apple computer. In case you are not familiar with Linux, ask your administrator for help and maybe do an online crash course to learn basic navigation and so on…

imagemath

Anonymous (anonymous@undisclosed.example.com) — 2019-09-05T12:54:24+00:00

ImageMath What does the program do? ImageMath is a set of script to work on diffraction images. We use it to calculate the average and the median of all the diffractograms. It was written by Gavin Vaughan at ESRF and is available on the old fable website:

maud

Anonymous (anonymous@undisclosed.example.com) — 2019-05-09T10:28:23+00:00

MAUD: Materials Analysis Using Diffraction Maud is an a Rietveld extended program to perform the combined analysis. It can be used to fit diffraction, fluorescence and reflectivity data using X-ray, neutron, TOF or electrons. List of MAUD features, as copied from the

mtex

Anonymous (anonymous@undisclosed.example.com) — 2020-10-06T15:14:27+00:00

MTeX MTEX is a free Matlab toolbox for analyzing and modeling crystallographic textures by means of EBSD or pole figure data. It runs inside matlab and it is very useful to work and plot grain orientations. The homepage for MTeX is at with an extensive user manual at

peaksearch

Anonymous (anonymous@undisclosed.example.com) — 2019-02-20T19:43:58+00:00

Peaksearch Peaksearch is a peak searching algorithm, part of ImageD11. It can be started by typing peaksearch.py in a terminal. Peaksearch is used when searching for peaks on the diffraction images. More details on peaksearch can be found in the ImageD11 user manual. peaksearch.py -h Usage: peaksearch.py [options] Options: -h, --help show this help message and exit -n STEM, --namestem=STEM Name of the files up the digits part eg mydata in …

polyxsim

Anonymous (anonymous@undisclosed.example.com) — 2019-02-18T10:11:59+00:00

PolyXSim PolyXSim allows you to simulate multigrain crystallography diffraction patterns. Introduction From the original manual, PolyXSim is a program which simulates 3DXRD diffraction patterns of polycrystalline (multiphase) materials for the “far-field” case, as it is called in 3DXRD community, e.g. with the detector far away from the sample (i.e. at 400 mm for instance). For high pressure diamond anvil cell experiments, it is the standard case.

pycifrw

Anonymous (anonymous@undisclosed.example.com) — 2019-02-18T10:11:59+00:00

PyCifRW PyCIFRW provides support for reading and writing CIF (Crystallographic Information Format) files using Python. It was developed at the Australian National Beamline Facility (ANBF), run by the Australian Synchrotron Research Program (ASRP), as part of a larger project to provide CIF input/output capabilities for data collection. It is now (Jan 2015) maintained and developed within the Australian Nuclear Science and Technology Organisation (ANSTO).

remove-shadow

Anonymous (anonymous@undisclosed.example.com) — 2019-09-03T16:12:15+00:00

Masking diamond anvil cell shadows This script is part of the TIMEleSS tools. It is meant to be used when cleaning up diamond anvil cell data timelessDACShadow -h Dealing with shadows in 3D-XRD in the DAC This is part of the TIMEleSS project http://timeless.texture.rocks usage: timelessDACShadow [OPTIONS] Usage: - timelessDACShadow [options] Basic example: - timelessDACShadow -s New_Data_Path -n P02-Ti-02_ -f 60 -l 70 Complex example: - timelessDACShadow -P Edf-P02-Ti-Close -s Edf-P02-…

start

Anonymous (anonymous@undisclosed.example.com) — 2023-12-05T14:30:19+00:00

Multigrain data processing software We rely heavily on software written for the fable project. Fable is a collection of packages for multigrain crystallography. Some are still maintained, others have not been touched for 10 years. Recently, a new website was started:

timelessdiamondspotremoval

Anonymous (anonymous@undisclosed.example.com) — 2019-09-03T13:43:21+00:00

Diamond spot removal This script is part of the TIMEleSS tools. It is meant to be used when cleaning up diamond anvil cell data timelessDiamondSpotRemoval -h Diamond spot removal for 3D-XRD in the DAC This is part of the TIMEleSS project http://timeless.texture.rocks usage: usage: timelessDiamondSpotRemoval [options] todo Usage: - timelessDiamondSpotRemoval [options] spots: test spot detection parameters - timelessDiamondSpotRemoval [options] plotMask: try to create a mask a plot an over…

timelesstools

Anonymous (anonymous@undisclosed.example.com) — 2023-03-16T13:55:53+00:00

TIMEleSS tools Those are a set of tools written for and during the TIMEleSS project. The source code for the tools is at . The user manuals for each script will be in this wiki. Installation Go to and click on the green button “clone or download

vesta

Anonymous (anonymous@undisclosed.example.com) — 2019-12-05T09:57:37+00:00

VESTA VESTA is a 3D visualization program for structural models, volumetric data such as electron/nuclear densities, and crystal morphologies. You can find more details on the VESTA homepage. Some of the novel features of VESTA are listed below. * Deal with multiple structural models, volumetric data, and crystal morphologies in the same window.

xfab

Anonymous (anonymous@undisclosed.example.com) — 2019-02-20T19:36:25+00:00

xfab xfab is a python library for the totalcryst program with crystallographic computations inside. Mostly written by Henning Sorensen and Jette Oddershede at Riso. The current homepage for xfab is at . Some of the TIMEleSS tools rely on xfab for crystallography calculations.