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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050488
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.046
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   73.2545 1.290404   4  3  1    2   73.2762  1.290076    0.0217  0.000328
   26.9468 3.300464   2  0  0    2   26.9264  3.302917   -0.0204 -0.002453
   75.3832 1.259185   2  2  4    2   75.3677  1.259405   -0.0155 -0.000220
   43.7426 2.065668   3  0  1    2   43.7265  2.066392   -0.0161 -0.000724
   19.9724 4.431800   1  0  1    2   19.9622  4.434036   -0.0102 -0.002236
   47.5608 1.908522   1  0  3    2   47.5512  1.908883   -0.0096 -0.000362
   38.4804 2.334825   2  2  0    2   38.4686  2.335515   -0.0118 -0.000690
   33.7759 2.648047   2  1  1    2   33.7660  2.648803   -0.0099 -0.000755
   59.6632 1.547364   4  1  1    2   59.6531  1.547602   -0.0101 -0.000238
   80.7398 1.188656   5  1  2    2   80.7294  1.188784   -0.0104 -0.000127
   52.1294 1.751643   3  2  1    2   52.1243  1.751803   -0.0051 -0.000160
   82.5056 1.167649   4  4  0    2   82.4963  1.167758   -0.0093 -0.000108
   68.8066 1.362493   2  0  4    2   68.8161  1.362328    0.0095  0.000165
   35.5574 2.519523   1  1  2    2   35.5678  2.518810    0.0104  0.000713
   40.6031 2.217665   2  0  2    2   40.6155  2.217018    0.0124  0.000647
   67.7361 1.381381   3  3  2    2   67.7530  1.381078    0.0169  0.000303
   53.3824 1.713481   3  1  2    2   53.4122  1.712596    0.0298  0.000885

 rmse = 0.00018196010
 
     A =     6.6058(5)         B =     6.6058(5)          C =     5.9818(8)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    261.03(4)