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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050408
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.081
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.3970 3.812017   1  1  1    2   23.4041  3.810879    0.0071  0.001137
   24.6419 3.621544   1  2  0    2   24.6469  3.620814    0.0050  0.000730
   25.6594 3.479738   2  0  0    2   25.6522  3.480707   -0.0072 -0.000969
   26.7990 3.333844   0  2  1    2   26.7961  3.334206   -0.0029 -0.000361
   27.7685 3.219268   2  1  0    2   27.7626  3.219942   -0.0059 -0.000674
   29.7653 3.007100   1  2  1    2   29.7654  3.007088    0.0001  0.000012
   32.4278 2.765399   2  1  1    2   32.4277  2.765404   -0.0001 -0.000005
   34.2874 2.619194   1  3  0    2   34.2944  2.618670    0.0070  0.000523
   37.4022 2.407438   2  2  1    2   37.3969  2.407766   -0.0053 -0.000327
   39.6178 2.277481   0  2  2    2   39.6281  2.276913    0.0103  0.000568
   41.7870 2.163900   1  2  2    2   41.7830  2.164097   -0.0040 -0.000197
   46.0446 1.972874   0  4  1    2   46.0402  1.973052   -0.0044 -0.000178
   48.4728 1.879398   1  3  2    2   48.4692  1.879530   -0.0036 -0.000131
   50.9485 1.793585   3  3  0    2   50.9532  1.793430    0.0047  0.000155

 rmse = 0.00005196725
 
     A =     6.9614(8)         B =     8.4787(9)          C =     5.3985(7)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    318.64(4)