**********************************************************
        ** PROGRAM FullProf.2k (Version 1.6  - Jul2000-LLB JRC) **
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                       M U L T I -- P A T T E R N                
            Rietveld, Profile Matching & Integrated Intensity
                 Refinement of X-ray and/or Neutron Data


    Date: 11/10/2000  Time: 13:20:02.290                              

 => PCR file code: gaooh1
 => DAT file code: gaooh1               -> Relative contribution: 1.0000
 => Title:  GaOOH                                                                         

 ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1

 => Global Refinement of X-ray powder diffraction data                          
 => 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 for pattern:  1
 => Wavelengths:  1.54056 1.54056
 => Cos(Monochromator angle)=   0.0000
 => Absorption correction (muR-eff):   0.0000
 => Base of peaks: 2.0*HW*   30.00
 ==> Angular range, step and number of points:
     2Thmin:   5.0000  2Thmax: 150.0000  Step:   0.0200  No. of points:   7251
 =>-------> Pattern#  1
 => Crystal Structure Refinement for phase: 1
 => Scor: 1.1275

 ==> RESULTS OF REFINEMENT:


 => No. of fitted parameters:   26


------------------------------------------------------------------------------
 => Phase No.  1   GaOOH                                 P B N M             
------------------------------------------------------------------------------

 =>  No. of reflections for pattern#:   1:   163  


 ==> ATOM PARAMETERS:

  Name    x     sx       y     sy       z      sz      B   sB  occ.  socc.

 GA    0.05133(   9) -0.14474(   4)  0.25000(   0)  0.603(  9)  0.040(  0) 
 O1    0.70174(  49)  0.19528(  22)  0.25000(   0)  1.233( 48)  0.040(  0) 
 O2    0.19396(  47)  0.05444(  22)  0.25000(   0)  1.212( 48)  0.040(  0) 
 H     0.40350(   0)  0.08690(   0)  0.25000(   0)  2.000(  0)  0.040(  0) 

 ==> PROFILE PARAMETERS FOR PATTERN#  1

 => Cell parameters      :
                              4.51601   0.00003
                              9.77899   0.00007
                              2.96599   0.00002
                             90.00000   0.00000
                             90.00000   0.00000
                             90.00000   0.00000
 
 => overall scale factor :    0.997523308   0.002379409
 => Eta(p-v) or m(p-vii) :    0.55294   0.00405
 => Overall tem. factor  :    0.00000   0.00000
 => Halfwidth parameters :    0.01625   0.00043
                              0.00094   0.00050
                              0.00657   0.00013
 => Preferred orientation:    1.00000   0.00000
                              0.00000   0.00000
 => Asymmetry parameters :    0.01156   0.00491
                              0.00274   0.00068
                              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 FOR PATTERN#  1


 => Zero-point:  -0.0004  0.0006
 => Background Polynomial Parameters ==>
                              86.9178    0.297851    
                             -62.1482     1.25963    
                              243.627     3.69667    
                              359.472     7.22496    
                             -440.356     8.68584    
                             -764.948     11.7719    
 
 => Cos( theta)-shift parameter :   0.0000  0.0000
 => Sin(2theta)-shift parameter :   0.0000  0.0000

 ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1

 => Cycle:  6 => MaxCycle:  8
 => N-P+C:  7224
 =>  R-factors (not corrected for background) for Pattern:  1
 => Rp: 4.85     Rwp: 6.74     Rexp:    6.75 Chi2: 0.998      L.S. refinement
 => Conventional Rietveld R-factors for Pattern:  1
 => Rp: 10.8     Rwp: 11.4     Rexp:   11.45 Chi2: 0.998    
 => Deviance: 0.724E+04     Dev*  :  1.001    
 => DW-Stat.:    1.9594     DW-exp:     1.9343
 => N-sigma of the GoF:   -0.140

 ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1

 => N-P+C:  6612
 =>  R-factors (not corrected for background) for Pattern:  1
 => Rp: 4.83     Rwp: 6.75     Rexp:    6.75 Chi2: 0.999      L.S. refinement
 => Conventional Rietveld R-factors for Pattern:  1
 => Rp: 9.85     Rwp: 11.0     Rexp:   10.96 Chi2: 0.999    
 => Deviance: 0.663E+04     Dev*  :  1.002    
 => DW-Stat.:    2.1381     DW-exp:     1.9317
 => N-sigma of the GoF:       -0.062

 => Global user-weigthed Chi2 (Bragg contrib.):1.09    
 => Phase:  1
 => Bragg R-factor:  1.30       Vol:  130.984( 0.002)  Fract(%):    0.00( 0.00)
 => Rf-factor= 1.34             ATZ:    0.000          Brindley:  1.0000

 
              CPU Time:    30.271 seconds
                            0.505 minutes

 => Run finished at:     Date: 11/10/2000  Time: 13:20:32.610