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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050348
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.049
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   24.3705 3.656572   3  1  0    2   24.3823  3.654821    0.0118  0.001750
   30.1105 2.970172   3  1  1    2   30.1076  2.970454   -0.0029 -0.000281
   31.2499 2.864256   0  2  0    2   31.2504  2.864207    0.0005  0.000049
   35.2223 2.549340   0  0  2    2   35.2236  2.549249    0.0013  0.000091
   35.9819 2.497171   0  2  1    2   35.9823  2.497146    0.0004  0.000025
   37.9251 2.373403   6  0  0    2   37.9286  2.373190    0.0035  0.000213
   40.8432 2.210111   3  2  1    2   40.8463  2.209952    0.0031  0.000158
   43.2862 2.090725   3  1  2    2   43.2829  2.090876   -0.0033 -0.000151
   47.7894 1.903492   0  2  2    2   47.7693  1.904247   -0.0201 -0.000755
   49.9059 1.827530   6  2  0    2   49.9094  1.827411    0.0035  0.000119
   51.5930 1.771606   3  3  0    2   51.5966  1.771491    0.0036  0.000116
   52.6950 1.737088   6  0  2    2   52.6976  1.737008    0.0026  0.000080
   53.2537 1.720156   6  2  1    2   53.2505  1.720252   -0.0032 -0.000095
   60.0173 1.541297   3  1  3    2   60.0283  1.541039    0.0110  0.000257
   62.5378 1.485048   6  2  2    2   62.5294  1.485227   -0.0084 -0.000179
   67.9745 1.378813   0  4  1    2   67.9783  1.378746    0.0038  0.000067
   80.5496 1.192147   6  4  1    2   80.5488  1.192158   -0.0008 -0.000010

 rmse = 0.00008309596
 
     A =    14.239(2)          B =     5.7284(3)          C =     5.0984(5)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    415.87(4)