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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060415
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.022
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   16.5633 5.354696   1  1  0    2   16.5813  5.348914    0.0180  0.005783
   35.3195 2.540648   0  0  2    2   35.3322  2.539762    0.0127  0.000886
   12.3042 7.200266   2  0  0    2   12.3167  7.192955    0.0125  0.007311
   67.5444 1.386059   0  4  1    2   67.5558  1.385853    0.0114  0.000206
   63.0252 1.474154   9  1  1    2   63.0330  1.473991    0.0078  0.000163
   49.4269 1.843183   6  2  0    2   49.4342  1.842929    0.0073  0.000254
   51.2164 1.782878   3  3  0    2   51.2135  1.782971   -0.0029 -0.000094
   29.9543 2.982690   3  1  1    2   29.9489  2.983215   -0.0054 -0.000526
   35.8297 2.505609   0  2  1    2   35.8241  2.505987   -0.0056 -0.000378
   88.3162 1.105924   9  3  2    2   88.3081  1.106004   -0.0081 -0.000080
   40.6207 2.220296   3  2  1    2   40.6074  2.220993   -0.0133 -0.000696
   31.0656 2.878402   0  2  0    2   31.0368  2.881007   -0.0288 -0.002604

 rmse = 0.00012582134
 
     A =14.386(2)              B =5.7620(6)               C =5.080(2)            
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 421.1(0)