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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060095
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.056
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.4016 7.792417   0  2  0    2   11.4089  7.787429    0.0073  0.004989
   22.8685 3.894893   0  4  0    2   22.8755  3.893714    0.0070  0.001178
   27.5947 3.236249   2  2  1    2   27.5886  3.236957   -0.0061 -0.000708
   29.1430 3.067411   3  0  0    2   29.1495  3.066741    0.0065  0.000670
   30.5885 2.925405   3  3  0    2   30.5951  2.924789    0.0066  0.000616
   32.2588 2.777381  -1  5  0    2   32.2558  2.777632   -0.0030 -0.000250
   33.6238 2.667498  -3  2  0    2   33.6197  2.667814   -0.0041 -0.000316
   33.8740 2.648333   1  6  0    2   33.8686  2.648746   -0.0054 -0.000413
   36.5442 2.460422   3  5  0    2   36.5421  2.460556   -0.0021 -0.000134
   39.4685 2.284341   0  5  2    2   39.4707  2.284221    0.0022  0.000120
   40.0018 2.255065  -1  5  2    2   39.9963  2.255362   -0.0055 -0.000297
   41.4278 2.180572   1  5  2    2   41.4318  2.180369    0.0040  0.000203
   42.2809 2.138469   0 -3  3    2   42.2806  2.138484   -0.0003 -0.000015
   46.2804 1.962322  -5 -3  2    2   46.2832  1.962210    0.0028  0.000112
   47.4959 1.914840  -5 -4  2    2   47.4941  1.914910   -0.0018 -0.000069
   53.5436 1.711719  -5  2  0    2   53.5456  1.711661    0.0020  0.000058
   59.9930 1.542023   6  4  0    2   59.9907  1.542077   -0.0023 -0.000053
   64.6531 1.441574   2 11  0    2   64.6544  1.441549    0.0013  0.000025

 rmse = 0.00004070180
 
     A =10.0889(4)             B =16.0366(7)              C =7.4465(7)           
 Alpha =96.474(7)           Beta =111.100(7)          Gamma =76.327(6)           
 
 Volume = 1091.7(1)