
 CONTENT of PCR_DAT.ZIP    (July 1998)


 1:The file pcr_dat.zip must be "unzipped" using pkware pkzip/pkunzip or
   WinZip. The resulting ASCII files are in PC/DOS format.
   They have to be converted to UNIX, Mac, or VMS using one of the
   appropriate utility (dos2unix, editor,...).

 2:The files contained in pcr_dat.zip can be used for testing FullProf.
   They have been selected in order to illustrate the use of FullProf in
   a variety of situations. In no way the proposed models pretend to be
   the most adequate to the data. In some cases there is a clear disagreement
   between the data and the model.

 3:For a quit test under DOS or under UNIX the user can type at the command
   line:
                     fullprof_alias < tempo.inp

   FullProf will be executed for all files existing in file: tempo.inp
   where the answers expected by FullProf are collected.


 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        : pbsom.int
 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   : c60.int
 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)         : hobb.int
 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                 : monte.int
 hmt   : Rigid body-TLS refinement of published single X-tal data : hmt.int
 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
