Known Freely Available Software:

Additions/Corrections/Changes Welcome

• CMPR Tcl/Tk - Windows, UNIX
  • Brian Toby ([email protected])
  • profiling software - single wavelength (optimised for constant wavelength Neutrons)
  • Original at http://www.ncnr.nist.gov/programs/crystallography/software/cmpr/
  • [CCP14 UK Web Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

  • Tutorial on CMPR: [Original at CCP14 UK Mirror]

• DRXWin Windows (demonstration version)
  • Vicent Primo Martin ([email protected])
  • Peak find/profiling as part of search-match and other analysis.
  • Original at http://icmuv.uv.es/drxwin/
  • [CCP14 UK Web Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

• EFLECH for Windows, OS/2, DOS, UNIX
  • Joerg Bergmann ([email protected])
  • Automatic peakfind/profiling software to pass onto INDEX indexing software.
  • ASCII input/control file.
  • Original at http://www.bgmn.de/related.html
  • [CCP14 UK Web Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

• GPLSFT Fortran Code
  • Larry Finger ([email protected])
  • profiling software
  • FTP SITE ARCHIVED AT CCP14
  • Includes volcal polyhedral volume software, rfine refinement program, and other code.
  • [CCP14 UK Web Mirror] | [CCP14 UK FTP Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

• Fityk - Marcin Wojdyr and Stanislaw Gierlotka
  • Contact: [email protected]
  • GPL'd Peak profiling software for powder diffraction. Source code and Windows/Linux binaries.
  • Original at http://www.unipress.waw.pl/soft/crystallography/fityk/
  • [CCP14 UK Web Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

• MacDiff for Mac
  • Rainer Petschick ([email protected])
  • Search match and general Powder X-ray diffraction software
  • Home site at http://www.geol.uni-erlangen.de/macsoftware/macdiff/MacDiff.html
  • About MacDiff 4: at http://www.geol.uni-erlangen.de/macsoftware/macdiff/MacDiff4.html
  • MacDiff - Latest infos: http://www.geol.uni-erlangen.de/macsoftware/macdiff/MacDiff%20Latest%20info.html)
  • [UK CCP14 Web Mirror]

• pearson.xls - MS-Excel Spreadsheet
  • Vinnie Gupta ([email protected])
  • "peak-decomposition procedure using a Pearson VII function implemented in Microsoft Excel."
  • As described in "J.Appl.Cryst. (1998), 31, 474-476"
  • Home site at http://www.rit.edu/~skgeme/xray/

• Rawplot - UNIX and Windows
  • Bob Von Dreele ([email protected])
  • profiling software and xrd visualisation (Comes with GSAS)
  • Original at ftp://ftp.lanl.gov/public/gsas/
  • [CCP14 UK Web Mirror] | [CCP14 UK FTP Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

• SHADOW for DOS and UNIX
  • Scott Howard
  • Peak find, Profiling/Analysis Software
  • Non-graphical command line/ASCII menu driven.
  • Deposited at Shadow webpage

• Powder for Windows
  • Nita Dragoe ([email protected])
  • Manual and Automatic Peak find (alpha 2 stripping)
  • Indexing templates can be made of the peak find results.
  • Original at http://www.ccp14.ac.uk/ccp/web-mirrors/ndragoe/html/software.html
  • [CCP14 UK Web Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]
  • Tutorial on Using Powder

• PowderX for Windows
  • Cheng Dong ([email protected])
  • Manual and Automatic Peak find (alpha 2 stripping)
  • Results can be passed to Wintreor which exists as part of PowderX
  • [Tutorial and download information]

• Renex Windows (demonstration version)
  • Vadim Gorbatenko ([email protected])
  • Peak find/profiling as part of overall program.
  • Home site at http://www.chat.ru/~meola/

• Winfit for Windows
  • Stefan Krumm ([email protected])
  • Profiling/Analysis Software
  • Intuitive and easy to use.
  • Can model multi-wavelength (alpha1,2) patterns
  • Peak result file can be directly imported into CRYS2RUN indexing suite and CELREF Unitcell refinement software.
  • Original at http://www.geol.uni-erlangen.de/html/software/winsoft.html
  • [CCP14 UK Web Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

  • Download at ftp://xray.geol.uni-erlangen.de/Software/windows/winfit/
  • [CCP14 UK Web Mirror] | [CCP14 UK FTP Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

• Winplotr - Windows
  • T. Roisnel ([email protected] or [email protected] )
  • automatic/manual peak finding, profiling software - can pass onto indexing software via Winplotr interface.

  • Original at http://www-llb.cea.fr/winplotr/winplotr.htm
  • [CCP14 UK Web Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

  • Original at ftp://charybde.saclay.cea.fr/pub/divers/fullprof.2k/
  • [CCP14 UK Web Mirror] | [CCP14 UK FTP Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

  • Tutorial on its use at http://www-llb.cea.fr/fullweb/winplotr/wpl_demo.htm
  • [CCP14 UK Web Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

  • Tutorial includes: "Find and refine a unit cell (Cimetidine synchrotron data)", "Manual Profile Fitting Procedure (part of the PbSO4 Round Robin neutron pattern)", "Automatic Profile Fitting Procedure (Tb3Fe5O12 garnet neutron pattern)", "Display diffraction patterns in a pseudo 3D plot".

• XFIT for Windows
  • Alan Coelho and Bob Cheary
  • Profiling Software
  • Can model multi-wavelength (alpha1,2) patterns
  • Can fit PseudoVoight, Split Pearson 7 and Fundamental Paremeters peaks.
  • CCP14 version can open around 150 files. No hard limit on number of peaks that can be fitted.
  • Can save everything as a project (PRJ) file.
  • Peak result file can be directly imported into CRYS2RUN indexing suite and CELREF Unitcell refinement software.
  • Very good at mass analysis of large amounts of data. (PSD, Energy Dispersive)

  • Deposited at the CCP14 website
  • [CCP14 UK Web Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]

  • CCP14 Based XFIT Tutorial Pages