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 Download, Manual
Atoms: Structure plots and powder pattern simulation Download, Manual (PSI domain only)
DrawXT: Structure plots Download, Manual
Single Crystal Diffraction
Jana2000: Refinement of single crystal data Download / Manual
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)
Indexing
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: Data visualization and treatment software, developed at ILL link
Software Links Outside PSI
CCP14: Link