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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050008
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.035
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   21.0748 4.218899   1  0  1    2   21.0684  4.220161   -0.0064 -0.001262
   23.6275 3.767878   1  1  1    2   23.6300  3.767480    0.0025  0.000398
   25.9544 3.434656   2  0  0    2   25.9641  3.433394    0.0097  0.001262
   27.0885 3.293193   0  2  1    2   27.0809  3.294102   -0.0076 -0.000909
   28.1077 3.175905   2  1  0    2   28.1064  3.176053   -0.0013 -0.000148
   30.1025 2.969591   1  2  1    2   30.0979  2.970039   -0.0046 -0.000448
   32.8002 2.730992   2  1  1    2   32.7999  2.731020   -0.0003 -0.000028
   33.5051 2.675070   0  0  2    2   33.5079  2.674855    0.0028  0.000214
   34.7448 2.582312   1  3  0    2   34.7423  2.582490   -0.0025 -0.000178
   37.8476 2.377242   2  2  1    2   37.8516  2.377000    0.0040  0.000242
   40.0208 2.252908   0  2  2    2   40.0165  2.253141   -0.0043 -0.000234
   42.2096 2.140909   1  2  2    2   42.2110  2.140841    0.0014  0.000068
   46.6468 1.946916   0  4  1    2   46.6452  1.946978   -0.0016 -0.000062
   49.0126 1.858262   1  3  2    2   49.0230  1.857892    0.0104  0.000370
   51.6671 1.768790   3  3  0    2   51.6648  1.768864   -0.0023 -0.000075
   59.4282 1.554840   2  1  3    2   59.4251  1.554914   -0.0031 -0.000074

 rmse = 0.00004727495
 
     A =     6.8667(7)         B =     8.3613(7)          C =     5.3497(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    307.15(3)