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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050277
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.032
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   21.3004 4.174182  -1  1  1    2   21.2950  4.175228   -0.0054 -0.001047
   22.9912 3.870455   2  0  0    2   22.9919  3.870336    0.0007  0.000119
   23.2664 3.825230  -2  0  1    2   23.2686  3.824876    0.0022  0.000353
   24.5865 3.622482   1  1  1    2   24.5845  3.622777   -0.0020 -0.000295
   25.1302 3.545225  -1  0  2    2   25.1301  3.545241   -0.0001 -0.000015
   25.4682 3.498876   0  0  2    2   25.4709  3.498507    0.0027  0.000369
   27.7068 3.220724   2  1  0    2   27.7094  3.220424    0.0026  0.000300
   27.9485 3.193385  -2  1  1    2   27.9422  3.194093   -0.0063 -0.000708
   29.0732 3.072218   2  0  1    2   29.0822  3.071290    0.0090  0.000928
   29.5281 3.025864  -1  1  2    2   29.5290  3.025776    0.0009  0.000088
   29.7412 3.004642  -2  0  2    2   29.7458  3.004186    0.0046  0.000456
   30.8107 2.902629   0  2  0    2   30.8059  2.903074   -0.0048 -0.000444
   32.9528 2.718486   1  2  0    2   32.9564  2.718195    0.0036  0.000291
   33.4184 2.681631   0  2  1    2   33.4209  2.681437    0.0025  0.000193
   34.7721 2.580172   3  0  0    2   34.7714  2.580224   -0.0007 -0.000052
   36.5224 2.460325   1  2  1    2   36.5204  2.460457   -0.0020 -0.000132
   37.3001 2.410750  -3  1  1    2   37.2983  2.410860   -0.0018 -0.000110
   37.6779 2.387420  -3  0  2    2   37.6750  2.387596   -0.0029 -0.000175
   38.1600 2.358334   3  1  0    2   38.1676  2.357881    0.0076  0.000453
   39.7098 2.269716  -2  0  3    2   39.7083  2.269796   -0.0015 -0.000081
   41.9724 2.152350   2  1  2    2   41.9644  2.152742   -0.0080 -0.000392
   42.7645 2.114269  -2  1  3    2   42.7702  2.114000    0.0057  0.000268
   43.9725 2.058904   1  2  2    2   43.9701  2.059010   -0.0024 -0.000107
   45.3206 2.000700  -4  0  1    2   45.3181  2.000806   -0.0025 -0.000106
   46.1375 1.967134   1  1  3    2   46.1379  1.967120    0.0004  0.000014
   50.1626 1.818211   0  2  3    2   50.1621  1.818228   -0.0005 -0.000017
   57.7066 1.597030  -4  2  2    2   57.7059  1.597046   -0.0007 -0.000017
   64.1326 1.451551   0  4  0    2   64.1333  1.451537    0.0007  0.000014
   69.1771 1.357451   4  2  2    2   69.1783  1.357431    0.0012  0.000020
   70.5660 1.334086  -4  2  4    2   70.5657  1.334091   -0.0003 -0.000005

 rmse = 0.00003333848
 
     A =8.0052(3)              B =5.8061(2)               C =7.2362(3)           
 Alpha =90                  Beta =104.771(2)          Gamma =90                  
 
 Volume = 325.22(1)