******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050222
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.010
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   29.4191 3.034581   1  1  2    2   29.3893  3.037589   -0.0298 -0.003008
   49.0436 1.856279   2  0  4    2   49.0472  1.856150    0.0036  0.000129
   57.8894 1.591856   3  1  2    2   57.9110  1.591313    0.0216  0.000543
   71.3578 1.320850   4  0  0    2   71.3480  1.321007   -0.0098 -0.000157
   79.4946 1.204815   3  1  6    2   79.4929  1.204836   -0.0017 -0.000021

 rmse = 0.00021577673
 
     A =5.2840(9)              B =5.2840(9)               C =10.433(4)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 291.30(9)