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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060039
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.114
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   47.1365 1.930878   0  4  1    2   47.1433  1.930615    0.0068  0.000263
   49.9134 1.829517  -4  2  2    2   49.9196  1.829304    0.0062  0.000212
   48.8756 1.866000  -2  4  1    2   48.8817  1.865782    0.0061  0.000218
   70.8096 1.331429   5  3  1    2   70.8155  1.331331    0.0059  0.000097
   21.2425 4.201458   0  2  0    2   21.2484  4.200307    0.0059  0.001151
   33.6337 2.671252   1  3  0    2   33.6378  2.670937    0.0041  0.000315
   31.3421 2.861853  -3  1  1    2   31.3455  2.861550    0.0034  0.000303
   29.3340 3.053800   2  2  0    2   29.3373  3.053462    0.0033  0.000338
   14.6040 6.107962   1  1  0    2   14.6065  6.106925    0.0025  0.001037
   35.2587 2.551373  -2  0  2    2   35.2608  2.551227    0.0021  0.000146
   42.9431 2.109712   1  1  2    2   42.9447  2.109636    0.0016  0.000076
   30.6954 2.920883  -2  2  1    2   30.6963  2.920795    0.0009  0.000088
   28.0567 3.190424   0  2  1    2   28.0576  3.190326    0.0009  0.000098
   32.1023 2.795555   3  1  0    2   32.1027  2.795520    0.0004  0.000034
   52.6622 1.740101   5  1  0    2   52.6619  1.740109   -0.0003 -0.000008
   20.4616 4.360906  -1  1  1    2   20.4610  4.361034   -0.0006 -0.000128
   69.0285 1.361426  -3  5  2    2   69.0273  1.361447   -0.0012 -0.000022
   44.0149 2.060659  -3  3  1    2   44.0136  2.060717   -0.0013 -0.000058
   20.0664 4.446383   2  0  0    2   20.0649  4.446717   -0.0015 -0.000333
   38.3137 2.354058   2  2  1    2   38.3107  2.354236   -0.0030 -0.000178
   58.9193 1.568983  -5  3  1    2   58.9155  1.569075   -0.0038 -0.000092
   66.8756 1.400002   0  6  0    2   66.8702  1.400102   -0.0054 -0.000100
   49.3874 1.847809  -5  1  1    2   49.3816  1.848014   -0.0058 -0.000205
   42.1700 2.146689   3  1  1    2   42.1632  2.147021   -0.0068 -0.000331
   25.9498 3.445627   1  1  1    2   25.9427  3.446560   -0.0071 -0.000933
   36.7361 2.451764   0  0  2    2   36.7265  2.452386   -0.0096 -0.000622

 rmse = 0.00004875163
 
     A =9.4739(4)              B =8.4006(3)               C =5.2249(4)           
 Alpha =90                  Beta =110.160(5)          Gamma =90                  
 
 Volume = 390.35(3)