*******************************************************
        *** PROGRAM FULLPROF (Version 3.5  - Dec97-LLB JRC) ***
        *******************************************************
           Rietveld, Profile Matching & Integrated Intensity
                Refinement of X-ray and/or Neutron Data


    Date: 05/19/98  Time: 21:12:43.57   

 => PCR file code: aldsync
 => DAT file code: aldsync
 => Title:   C22H24N2O8HCl  P212121                                             

 ==> CONDITIONS OF THIS RUN:

 => Global Refinement of X-ray powder diffraction data                          
    Bragg-Brentano or Debye-Scherrer geometry
 => The    5th default profile function was selected
 => Data supplied in free format 
 => Wavelengths:  0.69200 0.69200
 => Cos(Monochromator angle)=   0.0000
 => Absorption correction (muR-eff):   0.0000
 => Base of peaks: 2.0*HW*    6.00
 ==> Angular range, step and number of points:
     2Thmin:   2.1150  2Thmax:  40.0000  Step:   0.0050  No. of points:   7578
 => Pattern Matching (fixed scale) for phase: 1
 => Scor: 2.9981

 ==> RESULTS OF REFINEMENT:


 => No. of fitted parameters:    9


------------------------------------------------------------------------------
 => Phase No.  1  C22H24N2O8HCl                          P 21 21 21          
------------------------------------------------------------------------------

 =>  No. of reflections:   1307


 ==> PROFILE PARAMETERS:

 => Cell parameters      :
                             10.98018   0.00015
                             12.85223   0.00019
                             15.73334   0.00021
                             90.00000   0.00000
                             90.00000   0.00000
                             90.00000   0.00000
 
 => Overall scale factor :    0.000010000   0.000000000
 => ETA(p-V) or M(P-VII) :    0.36936   0.00221
 => Overall Tem. factor  :    0.00000   0.00000
 => Halfwidth parameters :    0.00600   0.00000
                              0.00446   0.00016
                              0.00257   0.00001
 => Preferred orientation:    1.00000   0.00000
                              0.00000   0.00000
 => Asymmetry parameters :   -0.00601   0.00062
                             -0.00346   0.00010
                              0.00000   0.00000
                              0.00000   0.00000
 => X and Y parameters   :    0.00000   0.00000
                              0.00000   0.00000
 => Strain parameters    :    0.00000   0.00000
                              0.00000   0.00000
                              0.00000   0.00000
 => Size   parameters    :    0.00000   0.00000
                              0.00000   0.00000

 ==> GLOBAL PARAMETERS:

 => Zero-point:   0.0022  0.0002
 => Cos( theta)-shift parameter :   0.0000  0.0000
 => Sin(2theta)-shift parameter :   0.0000  0.0000

 ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS:

 => Cycle: 40 => MaxCycle: 40
 => N-P+C:  7490
 => Rp:0.911     Rwp: 1.30     Rexp:    0.87 Chi2:  2.24      L.S. refinement
 => Conventional Rietveld R-factors ==>
 => Rp: 6.10     Rwp: 5.47     Rexp:    3.66 Chi2:  2.24    
 => Deviance: 0.170E+05     Dev*  :  2.267    
 => DW-Stat.:    0.4625     DW-exp:     1.9308
 => N-sigma of the GoF:   76.033

 ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS:

 => N-P+C:  7256
 => Rp:0.913     Rwp: 1.31     Rexp:    0.86 Chi2:  2.28      L.S. refinement
 => Conventional Rietveld R-factors ==>
 => Rp: 5.99     Rwp: 5.44     Rexp:    3.60 Chi2:  2.28    
 => Deviance: 0.168E+05     Dev*  :  2.309    
 => DW-Stat.:    0.4687     DW-exp:     1.9297
 => N-sigma of the GoF:       77.346
 => Phase:  1
 => Bragg R-factor:  1.96       Vol: 2220.287( 0.054)  Fract(%):    0.00( 0.00)
 => Rf-factor=0.968             ATZ:    0.000          Brindley:  1.0000

 => Run finished at     Date: 05/19/98  Time: 21:16:28.21