Collaborative Computational Project Number 14


For Single Crystal and Powder Diffraction
(Freely Available Crystallographic Software for Students and Academia)


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Tutorials and Examples

Winplotr Graphics and Fullprof Rietveld (and Single Crystal) Software

The CCP14 Homepage is at

[Tutorials page]

Fullprof Suite for Rietveld Analysis, Powder Indexing, Visualisation and much more - Juan Rodriguez-Carvajal, WinPlotr Interface - Thierry Roisnel, GFourier - Javier Gonzalez-Platas
  • Contact: Fullprof Team
  • The FullProf Suite (for Windows and Linux) is formed by a set of crystallographic programs (FullProf, WinPLOTR, EdPCR, GFourier, etc...) mainly developed for Rietveld analysis (structure profile refinement) of neutron (constant wavelength, time of flight, nuclear and magnetic scattering) or X-ray powder diffraction data collected at constant or variable step in scattering angle 2theta.

  • The original website is here at
  • Mirrored here at CCP14 Fullprof Suite

    This includes all associated programs and tutorials with the Fullprof Suite

Overview/Documentation of Fullprof and WinPlotr

Warning: Fullprof and WinPlotr are both under heavy development and modification. Thus you should check for updates often. (Once/twice per week(?) may be prudent) The documentation here serves as an overview and was updated on 2nd June 2001. You should refer to the documentation that comes with the distribution of Fullprof/WinPlotr you are using.

Basic Demonstrations of Winplotr and Fullprof and extra information

Some Template Files for Fullprof

  • Philips (lab Bragg-Brentano) Plate Geometry template files for Structure Refinement

  • Philips (lab Bragg-Brentano) Flat Plate Geometry template files for Le Bail Extraction/Profile Matching

  • INEL PSD Flat Plate Geometry template files for Structure Refinement

  • INEL PSD Flat Plate Geometry template files for Le Bail Extraction/Profile Matching

  • 2Phase system, one structure known, the other setup for Le Bail Extraction/Profile Matching and structure solution.

  • A variety of template files is also provided with the distribution
     4:The number and nature of files can change with different releases.
       At present the files are:
     PCR code           Purpose                                       Data File
     ce1   : refinement of a CeO2 standard                            : ceo2.dat
     ce2   :           "                                              :    "
     rutana: Conventional X-ray diffraction pattern: Rutile+Anatase   : rutana.dat
     tbbaco:               "                       : Tb2BaCoO5        : tbbaco.dat
     tbba  :               "                       : Profile Matching :    "
     pbsox : Crystal structure refinement of PbSO4 with X-rays        : pbsox.dat
     pbso  : Profile matching to obtain an overlapped intensity file  :    "
     pbsom : Search for Pb by Montecarlo using previous output        :
     pb    : Profile matching test of PbSO4 neutron data              : pbso4.dat
     pbso4 : Crystal structure refinement of PbSO4                    :    "
     pbso4a:            "               (anisotropic b's)             :    "
     c60   : compares C60 x-tal data to form-factor SPHS sin(Qr)/Qr   :
     c60a  : compares C60 x-tal data to fixed form-factor sin(Qr)/Qr  :    "
     dy    : Four different ways of refining the crystal              : dy.dat
     dya   : and magnetic structure of DyMn6Ge6                       :    "
     dyb   :                                                          :    "
     dyc   :                                                          :    "
     hobb  : Refinement with integrated intensities (Nuc+mag)         :
     hob   : Montecarlo search for mag. moments in Ho2BaNiO5          :     "
     hobk1 : Three different ways of refining the crystal             : hobk.dat
     hobk2 : and magnetic structure of Ho2BaNiO5                      :    "
     hobk3 :                                                          :    "
     hocu  : Refinement of the magnetic structure of Ho2Cu2O5         : hocu.dat
     la    : Two ways for strain refinement in La2NiO4                : la.dat
     lab   : with low resolution neutron powder data.                 :    "
     monte : Montecarlo test with single crystal data                 :
     hmt   : Rigid body-TLS refinement of published single X-tal data :
     urea  : Test Rigid body with satellites (simulated data)         : urea.dat
     pyr   : Test Rigid body with general TLS refinement (sim. data)  : pyr.dat
     ycbacu: YBaCuO with Ca. Data from D1A                            : ycbacu.dat
     cecual: TOF data from POLARIS at ISIS                            : cecual
     cecoal:            "                                             : cecoal
     arg_si: Corrected TOF data of Si from SEPD at Argonne            : arg_si

[Tutorials page]

If you have any queries or comments, please feel free to contact the CCP14