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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040036
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.046
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.0253 4.440339   0  2  0    2   20.0329  4.438665    0.0076  0.001674
   20.4978 4.338809   1  0  1    2   20.5062  4.337040    0.0084  0.001769
   22.8453 3.897108   1  1  1    2   22.8469  3.896846    0.0016  0.000262
   23.6196 3.770828   1  2  0    2   23.6133  3.771815   -0.0063 -0.000987
   24.9158 3.577156   2  0  0    2   24.9137  3.577457   -0.0021 -0.000301
   25.9050 3.442518   0  2  1    2   25.9057  3.442420    0.0007  0.000098
   26.8962 3.317643   2  1  0    2   26.8920  3.318156   -0.0042 -0.000513
   28.8018 3.101977   1  2  1    2   28.8010  3.102056   -0.0008 -0.000080
   31.5821 2.834554   2  1  1    2   31.5814  2.834617   -0.0007 -0.000062
   36.2292 2.480455   2  2  1    2   36.2282  2.480524   -0.0010 -0.000069
   38.7688 2.323422   0  2  2    2   38.7722  2.323228    0.0034  0.000194
   40.8511 2.209535   1  2  2    2   40.8487  2.209662   -0.0024 -0.000127
   44.0599 2.055606   0  4  1    2   44.0599  2.055608    0.0000 -0.000001
   47.0728 1.930691   1  3  2    2   47.0713  1.930751   -0.0015 -0.000060
   49.0592 1.856989   3  3  0    2   49.0610  1.856924    0.0018  0.000065
   51.0604 1.788741   4  0  0    2   51.0608  1.788728    0.0004  0.000013

 rmse = 0.00002497642
 
     A =     7.1549(2)         B =     8.8773(5)          C =     5.4530(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    346.35(2)