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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060276
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.045
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   40.7248 2.216067   1  1  2    2   40.7344  2.215567    0.0096  0.000500
   34.9827 2.565997  -1  3  1    2   34.9906  2.565438    0.0079  0.000559
   59.6296 1.550305   3  5  0    2   59.6374  1.550120    0.0078  0.000184
   59.0974 1.563000   6  0  0    2   59.1035  1.562855    0.0061  0.000146
   26.6681 3.345462   0  2  1    2   26.6720  3.344977    0.0039  0.000485
   42.9100 2.108017  -4  2  1    2   42.9127  2.107891    0.0027  0.000126
   19.9207 4.463316   0  2  0    2   19.9232  4.462757    0.0025  0.000559
   29.8847 2.991752  -2  2  1    2   29.8852  2.991704    0.0005  0.000048
   30.3171 2.949996   3  1  0    2   30.3166  2.950043   -0.0005 -0.000047
   56.6422 1.624835  -2  2  3    2   56.6416  1.624852   -0.0006 -0.000017
   39.1512 2.301538   3  1  1    2   39.1504  2.301586   -0.0008 -0.000048
   52.1594 1.753553   1  5  0    2   52.1576  1.753610   -0.0018 -0.000057
   44.3879 2.041129   0  4  1    2   44.3859  2.041217   -0.0020 -0.000089
   27.6194 3.232168   2  2  0    2   27.6163  3.232526   -0.0031 -0.000358
   46.1016 1.969090  -1  3  2    2   46.0974  1.969261   -0.0042 -0.000171
   41.9368 2.154711   3  3  0    2   41.9306  2.155018   -0.0062 -0.000306
   42.3893 2.132727  -3  3  1    2   42.3827  2.133046   -0.0066 -0.000319
   30.9196 2.893788  -3  1  1    2   30.9127  2.894419   -0.0069 -0.000631
   65.6310 1.422216   5  3  1    2   65.6240  1.422351   -0.0070 -0.000135

 rmse = 0.00005948695
 
     A =9.7505(7)              B =8.9255(5)               C =5.2543(4)           
 Alpha =90                  Beta =105.907(9)          Gamma =90                  
 
 Volume = 439.76(4)