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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050671
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.014
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.6078 8.343644   0  1  0    2   10.6169  8.336471    0.0091  0.007172
   13.6447 6.490798   1  0  0    2   13.6507  6.487959    0.0060  0.002839
   17.7708 4.990784  -1  1  0    2   17.7751  4.989592    0.0043  0.001191
   21.3082 4.169043   0  2  0    2   21.3124  4.168236    0.0042  0.000807
   23.7240 3.749451   1  1  1    2   23.7281  3.748813    0.0041  0.000638
   24.3715 3.651226   1 -1  1    2   24.3653  3.652145   -0.0062 -0.000919
   24.7371 3.598055   1  2  0    2   24.7414  3.597434    0.0043  0.000621
   27.0300 3.297664  -1 -2  1    2   27.0352  3.297043    0.0052  0.000621
   27.4861 3.243943   2  0  0    2   27.4858  3.243980   -0.0003 -0.000037
   28.9782 3.080135   2  1  0    2   28.9737  3.080603   -0.0045 -0.000467
   29.6528 3.011548  -2 -1  1    2   29.6474  3.012079   -0.0054 -0.000532
   32.2031 2.778531   0  3  0    2   32.1996  2.778824   -0.0035 -0.000292
   33.9393 2.640201   1  0  2    2   33.9395  2.640183    0.0002  0.000018
   35.8324 2.504881  -1  3  0    2   35.8261  2.505306   -0.0063 -0.000426
   36.5788 2.455443  -2  2  1    2   36.5784  2.455469   -0.0004 -0.000026
   41.7449 2.162634   3  0  0    2   41.7445  2.162653   -0.0004 -0.000019
   44.0234 2.055808  -2  3  0    2   44.0279  2.055610    0.0045  0.000198
   45.6973 1.984298  -3 -2  1    2   45.6988  1.984236    0.0015  0.000062
   51.6572 1.768431  -3 -3  1    2   51.6570  1.768438   -0.0002 -0.000007

 rmse = 0.00003331096
 
     A =6.6395(4)              B =8.3498(6)               C =6.471(1)            
 Alpha =90.83(2)            Beta =101.87(1)           Gamma =86.762(5)           
 
 Volume = 350.54(6)