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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050148
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.044
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.5158 4.554908   1  1  0    2   19.5162  4.554814    0.0004  0.000093
   20.0161 4.441924   0  2  0    2   20.0125  4.442722   -0.0036 -0.000798
   23.9810 3.714399   1  1  1    2   23.9760  3.715159   -0.0050 -0.000760
   24.3867 3.653406   0  2  1    2   24.3855  3.653577   -0.0012 -0.000171
   27.7988 3.211535   0  0  2    2   27.8051  3.210816    0.0063  0.000718
   29.5911 3.020680   0  1  2    2   29.6008  3.019709    0.0097  0.000971
   32.6113 2.747119   1  0  2    2   32.6146  2.746852    0.0033  0.000267
   33.8158 2.651845   2  0  0    2   33.8084  2.652409   -0.0074 -0.000564
   34.1782 2.624516   1  1  2    2   34.1809  2.624313    0.0027  0.000203
   34.4857 2.601784   0  2  2    2   34.4782  2.602335   -0.0075 -0.000551
   34.6996 2.586214   1  3  0    2   34.7019  2.586045    0.0023  0.000169
   42.0999 2.146668   2  2  1    2   42.1049  2.146422    0.0050  0.000246
   43.0968 2.099242   0  4  1    2   43.0954  2.099308   -0.0014 -0.000066
   44.2947 2.045154   2  0  2    2   44.3003  2.044907    0.0056  0.000247
   45.0157 2.014027   1  3  2    2   45.0156  2.014029   -0.0001 -0.000003
   46.9002 1.937322   1  1  3    2   46.9013  1.937279    0.0011  0.000043
   49.9240 1.826731   0  4  2    2   49.9223  1.826788   -0.0017 -0.000057
   54.8231 1.674376   3  1  1    2   54.8265  1.674281    0.0034  0.000095
   55.8515 1.645933   2  4  1    2   55.8450  1.646109   -0.0065 -0.000176
   56.4514 1.629843   1  5  1    2   56.4502  1.629874   -0.0012 -0.000031
   59.2373 1.559608   2  2  3    2   59.2320  1.559734   -0.0053 -0.000126
   78.9370 1.212354   1  7  1    2   78.9410  1.212302    0.0040  0.000052
   79.9587 1.199404   2  6  2    2   79.9576  1.199418   -0.0011 -0.000014

 rmse = 0.00004465209
 
     A =     5.3048(3)         B =     8.8854(2)          C =     6.4216(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    302.68(2)