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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040014
 
 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
   11.8949 7.442931   1  1  0    2   11.8994  7.440145    0.0045  0.002786
   12.9115 6.858446  -1  1  0    2   12.9002  6.864428   -0.0113 -0.005982
   18.3435 4.836300   2  0  0    2   18.3491  4.834823    0.0056  0.001477
   20.0926 4.418762  -1 -2  1    2   20.0910  4.419115   -0.0016 -0.000353
   23.8964 3.722879   2  2  0    2   23.9147  3.720072    0.0183  0.002806
   25.9590 3.431397  -2  2  0    2   25.9527  3.432214   -0.0063 -0.000817
   26.1965 3.400807   1  3  0    2   26.2015  3.400163    0.0050  0.000644
   27.6306 3.227375  -1  3  0    2   27.6250  3.228012   -0.0056 -0.000637
   29.6102 3.015853  -3  1  0    2   29.6093  3.015948   -0.0009 -0.000095
   30.7678 2.904919   1  1  2    2   30.7678  2.904922    0.0000 -0.000003
   31.0003 2.883650  -2 -2  2    2   31.0007  2.883617    0.0004  0.000033
   33.9096 2.642498   0  4  0    2   33.9059  2.642781   -0.0037 -0.000283
   35.5185 2.526351  -2  3  1    2   35.5183  2.526364   -0.0002 -0.000013
   40.1657 2.244010  -2  4  0    2   40.1658  2.244007    0.0001  0.000004
   44.5800 2.031446  -1  5  0    2   44.5785  2.031511   -0.0015 -0.000066
   47.0600 1.929976   5  1  0    2   47.0562  1.930123   -0.0038 -0.000147
   53.3507 1.716226  -4  4  0    2   53.3547  1.716107    0.0040  0.000119

 rmse = 0.00004616451
 
     A =     9.844(1)          B =    10.755(1)           C =     7.128(2)       
 Alpha =    99.58(2)        Beta =    99.76(2)        Gamma =    83.878(9)       
 
 Volume =    731.0(2)