Diffraction Programs on Linux

Powder Diffraction

Fullprof: Powder-data-refinement Manual, Input Examples: standard / incommensurate, SC-incomm-domain, Data: SC-incomm-domain-data
Lazy Pulverix: Calculation of powder patterns On-Line-Manual / Simple-Manual / Input-Example
POLY: calculation of Bragg positions from unit cell parameters and wavelength Input-Example
WELNU: refinement of wavelength from Bragg positions Input-Example
PROMETHEUS: Many crystallographic options (not installed at PSI), Manual, Manual-Add
EXPO Automatic structure determination from powder data http://www.ic.cnr.it/expo2004.php">Download, http://www.ic.cnr.it/expo.pdf">Manual
Atoms: Structure plots and powder pattern simulation http://www.shapesoftware.com/">Download, Manual (PSI domain only)
DrawXT: Structure plots http://home.att.net/~larry.finger/drawxtl/">Download, http://home.att.net/~larry.finger/drawxtl/">Manual

Single Crystal Diffraction

Jana2000: Refinement of single crystal data http://www-xray.fzu.cz/jana/jana.html">Download / Manual / http://diffraction.web.psi.ch/pdf/jana98-print.pdf">Manual to Print
SHELX: Refinement of single crystal data (not installed yet) Manual
UPALS: Refinement of single crystal data (not installed at PSI) Input-Example
Fullprof: Magnetic Single-crystal-data-refinement Manual
AVER: Merging Equivalents Input-Example
TBAR: Calculating mean path trough crystals Input-Example
REFORM: Converting Output-Formats Input-Example
ANATRIC: Integrating 2D-hdf-Data from TriCS Manual
TILT: Preparing TriCS-Scans in normal beam geometry Manual/Input-file
XTAL: Refinement of single crystal data (not installed at PSI)


VISSER: Indexing of Powder Lines Download
TREOR: Indexing of Powder Lines Download
DICVOL:(also integrated in Full-Prof-Suite) Manual, Input, Source (zip)
McMaille: Indexing by Monte Carlo (also available as a PC version) Manual, Input, Source (zip)
McMaille: Treor (also integrated in Full-Prof-Suite) Manual, Input

Data Visualization

LAMP: 3D-Data-Visualisation http://www.ill.fr/data_treat/lamp/front.htm">Manual
LAMPLNS: Same as LAMP, but reads e.g. hdf-files http://www.ill.fr/data_treat/lamp/front.htm">Manual

Argonne: Neutron Scattering Software
CCP14: Link