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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050111
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.048
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.7434 5.641442   1  0  1    2   15.7505  5.638904    0.0071  0.002538
   20.4515 4.349064   0  2  0    2   20.4470  4.350010   -0.0045 -0.000946
   21.8328 4.076325   2  0  0    2   21.8417  4.074677    0.0089  0.001648
   22.7965 3.905770   0  0  2    2   22.7991  3.905327    0.0026  0.000443
   23.2000 3.838604   1  2  0    2   23.2066  3.837523    0.0066  0.001081
   24.1523 3.689062   2  1  0    2   24.1460  3.690016   -0.0063 -0.000954
   26.7386 3.337172   2  1  1    2   26.7447  3.336419    0.0061  0.000753
   27.3461 3.264269   1  1  2    2   27.3443  3.264485   -0.0018 -0.000216
   30.0784 2.973200   2  2  0    2   30.0721  2.973807   -0.0063 -0.000607
   30.7814 2.906774   0  2  2    2   30.7896  2.906021    0.0082  0.000753
   31.7571 2.819522   2  0  2    2   31.7579  2.819452    0.0008  0.000070
   32.7444 2.736603   1  2  2    2   32.7371  2.737196   -0.0073 -0.000593
   34.6224 2.592134   3  1  0    2   34.6106  2.592994   -0.0118 -0.000860
   34.9921 2.565551   3  0  1    2   34.9899  2.565710   -0.0022 -0.000158
   39.1051 2.304327   3  2  0    2   39.1092  2.304095    0.0041  0.000232
   40.2904 2.239146   1  3  2    2   40.2988  2.238700    0.0084  0.000446
   43.0609 2.101117   1  4  0    2   43.0538  2.101448   -0.0071 -0.000330
   44.6582 2.029523   1  4  1    2   44.6637  2.029284    0.0055  0.000240
   46.5070 1.952973   0  0  4    2   46.5148  1.952663    0.0078  0.000310
   49.2449 1.850500   1  4  2    2   49.2436  1.850545   -0.0013 -0.000045
   52.5989 1.740015   1  2  4    2   52.5889  1.740322   -0.0100 -0.000307
   70.5107 1.335256   5  3  2    2   70.5128  1.335221    0.0021  0.000035

 rmse = 0.00005881212
 
     A =     8.1493(6)         B =     8.7000(7)          C =     7.8106(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    553.77(5)