
 CONTENT of the EXAMPLES directory (or the PCR_DAT.zip file)
 ===========================================================

 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 or Mac using 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.
    The multi-pattern refinements are provided only for learning
    how to create PCR files using several pattenrs.

 3: For a quit test in a DOS shell (on Windows), after moving to the EXAMPLES
    directory, the user can type at the command line :

                 My_prompt>  test_fp

    FullProf will be executed for all files invoked within the
    test_fp.bat file. As it can be seen editing test_fp.bat, the
    console version of FullProf (fp2k.exe) is invoked using three
    arguments: the first is the code of the PCR file, the second is
    the code of the DAT or INT file and the third indicates to the
    program that the standard output (screen) is directed to a file
    with extension LOG.
    At the end the program get_log.exe is executed producing a file
    called "log.res" where a summary of the test is given.

 4: The number and nature of files can change with different releases.
    The files contain some directives to create the FST files to be
    used by the FullProf Studio (Fp_Studio) program.

   At present the files are:

 PCR code           Purpose                                                 Data File
 -------------------------------------------------------------------------------------
 ce1        : refinement of a CeO2 sample in conventional diffractometer  : ceo2.dat
 ce2        :           "                                                 :    "
 rutana     : Conventional X-ray diffraction pattern: Rutile+Anatase      : rutana.dat
 rutana_tch :               "              with another peak shape        : 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           : pbso1.int
 pb         : Profile matching test of PbSO4 neutron data                 : pbso4.dat
 pbso4      : Crystal structure refinement of PbSO4                       :    "
 pb_sing    :            "          (using alternative format of PCR file):    "
 pbso4a     :            "               (anisotropic b's)                :    "
 pb_san     : Simulated annealing search of the full structure of PbSO4   : pb_san.int
 pbb        : multi-pattern input file, mixing X-rays and neutrons        : pbso4.dat
              data for a combined refinement (warning! diff. temps)       : pbsox.dat
 c60        : Refinement of C60 x-tal data using spherical harmonics      : c60.int
 c60a       :      "              using a fixed user-supplied form factor :    "
 c60s       :      "  using spherical shell SPHS (sin(Qr)/Qr) form factor :    "
 dy         : Four different ways of refining the crystal                 : dy.dat
 dya        : and magnetic structure of DyMn6Ge6                          :    "
 dyb        :                                                             :    "
 dyc        :                                                             :    "
 hobsa      : Simulated annealing search of magnetic moments in Ho2BaNiO5 : hobb.int
 hobb       : Refinement with integrated intensities (Nuc+mag)            :    "
 hobk1      : Four different ways of refining the crystal                 : hobk.dat
 hobk2      : and magnetic structure of Ho2BaNiO5                         :    "
 hobk3      :                                                             :    "
 hobk       :                                                             :    "
 hocu       : Refinement of the magnetic structure of Ho2Cu2O5            : hocu.dat
 cuf1k      : Refinement of the magnetic structure of CuF2                : cuf1k.dat
 la         : Three ways for strain refinement in La2NiO4                 : la.dat
 lab        : with low resolution neutron powder data.                    :    "
 lab        :                                                             :    "
 lamn_3t2   : Refinement of the crystal structure of LaMnO3 at RT (3T2)   : lamn_3t2.dat
 lamn_str   : " using strains (in previous file some reflections are      :     "
                treated as special)                                       :
 lamn_pol   :    "   (using T.O.F. data from POLARIS)                     : lamn_pol.dat
 monte      : Montecarlo test with single crystal data                    : prnio.int
 prnio      : Refinement of the crystal structure of Pr2NiO4+d (SXTAL)    :    "
 hmt        : Rigid body-TLS refinement of simulated data calculated      : hmt.int
              using published single X-tal data                           :
 urea       : Test Rigid body with satellites (simulated data)            : urea.dat
 ybacud1a   : YBaCuO with Ca. Data from D1A                               : ybacud1a.dat
 cecual     : Crystal structure of intermetallic compounds. TOF data from : cecual.dat
 cecoal     : POLARIS at ISIS           "                                 : cecoal.dat
 arg_si     : Corrected TOF data of Si from SEPD at Argonne               : arg_si.dat
 ncaf_3t2   : Refinement of the crystal structure of Na2Ca3Al2F14 (3T2)   : ncaf_3t2.dat
 si3n4r     : Quantitative phase analysis of Si3N4 (Neutron Studvik)      : si3n4r.dat
 sin_3t2    :          "                    "      (Neutron 3T2, LLB)     : sin_3t2.dat
 maghem     : Refinement of the crystal and magnetic structures of a      : maghem
              of Magnetite and Hematite usind RT data (D1A-LLB)           :
 pb_ho      : Completely artificial multi-pattern refinements             : pbso4.dat &
 pb_hob     :                   "                                         :  hobk.dat
 CeO2_PEARL : Refinement of CeO2 using T.O.F data from PEARL (ISIS)       : CeO2_PEARL.dat
 hrpd       : Refinement of CeO2 using T.O.F data from HRPD (ISIS)        : hrpd.dat
 nac-osiris : Refinement of Na2Ca3Al2F14 T.O.F data from OSIRIS (ISIS)    : nac-osiris.dat
 nac-osirisn:    "           "    considering several special reflections :      "
 LMO_Modes_x: Refinement of the crystal structure of LaMnO3 at RT(3T2)    : lamn_3t2.dat
            : using amplitudes of normal modes as parameters for refinement
            : instead of atom positions. Two files x=Pbnm, x=Pnma.
 Lamn_san   : Simulated annealing example using normal modes and powder   : Lamn_san.int
            : profile instead of integrated intensities.                  : Lamn_san.spr
            : See note of 20 August 2006
 k2spo      : Combined refinement of neutron powder diffraction and       : k2spo.dat
            : X-rays single crystal data                                  : k2spo.int
prca_sxtal  : Refinement of neutron single crystal diffraction data of    : prca_sxtal1.int
            : Pr0.6Ca0.4MnO3 in the paramagnetic CO phase                 : prca_sxtal2.int
            : Two sxtal patterns containing fundamental and superstructure:
            : reflections (twinned crystal)                               :

