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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040074
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.050
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.5867 4.782716   1  1  1    2   18.5871  4.782602    0.0004  0.000114
   19.6227 4.531832  -1  1  1    2   19.6138  4.533870   -0.0089 -0.002038
   24.2662 3.672319   1  2  1    2   24.2665  3.672267    0.0003  0.000052
   25.8275 3.453319   2  0  0    2   25.8261  3.453507   -0.0014 -0.000187
   27.2296 3.278271  -1  2  1    2   27.2350  3.277630    0.0054  0.000641
   28.3748 3.148274   0  2  2    2   28.3743  3.148328   -0.0005 -0.000053
   29.0444 3.077072   2  0  1    2   29.0457  3.076937    0.0013  0.000135
   29.6990 3.010607  -2  1  0    2   29.6960  3.010908   -0.0030 -0.000301
   30.1946 2.962229  -2  1  1    2   30.1991  2.961796    0.0045  0.000432
   31.0123 2.885835  -1 -3  1    2   31.0124  2.885822    0.0001  0.000013
   38.2119 2.356318   3  1  0    2   38.2118  2.356325   -0.0001 -0.000008
   41.3680 2.183324   1  4  1    2   41.3676  2.183344   -0.0004 -0.000020
   47.3320 1.920894  -2  3  2    2   47.3312  1.920924   -0.0008 -0.000030
   55.8843 1.645228   2  4  3    2   55.8844  1.645225    0.0001  0.000003

 rmse = 0.00002528571
 
     A =     7.1484(6)         B =     9.1820(7)          C =     8.964(2)       
 Alpha =    91.92(1)        Beta =    98.21(1)        Gamma =    77.344(9)       
 
 Volume =    568.1(1)