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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060054
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.046
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.8515 3.896082   1 -1  1    2   22.8586  3.894888    0.0071  0.001194
   24.2275 3.677410   1  3  0    2   24.2323  3.676684    0.0048  0.000726
   27.9541 3.194254   0  0  2    2   27.9582  3.193789    0.0041  0.000465
   26.2498 3.398012  -1  1  2    2   26.2537  3.397518    0.0039  0.000494
   41.9798 2.152641   0  6  0    2   41.9826  2.152506    0.0028  0.000135
   23.6739 3.762303  -1  3  0    2   23.6766  3.761873    0.0027  0.000430
   24.5634 3.627784  -1 -3  1    2   24.5657  3.627445    0.0023  0.000339
   23.4716 3.794334   1  1  1    2   23.4725  3.794193    0.0009  0.000141
   21.8527 4.072220  -2  0  1    2   21.8531  4.072139    0.0004  0.000081
   51.2743 1.781777  -2  0  4    2   51.2745  1.781772    0.0002  0.000005
   25.6682 3.473809  -1 -1  2    2   25.6659  3.474118   -0.0023 -0.000309
   33.3497 2.688049  -1  3  2    2   33.3466  2.688289   -0.0031 -0.000240
   29.6992 3.010124   1 -3  1    2   29.6952  3.010522   -0.0040 -0.000398
   30.4097 2.941288   0 -4  1    2   30.4043  2.941799   -0.0054 -0.000511
   31.1317 2.874600   1  3  1    2   31.1258  2.875134   -0.0059 -0.000535
   15.2263 5.831565  -1 -1  1    2   15.2176  5.834879   -0.0087 -0.003314

 rmse = 0.00003405158
 
     A =8.235(2)               B =12.9316(9)              C =7.1343(4)           
 Alpha =92.47(1)            Beta =116.30(1)           Gamma =90.25(1)            
 
 Volume = 680.2(1)