******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050143
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.082
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   24.8659 3.589470   1  1  2    2   24.8635  3.589809   -0.0024 -0.000339
   25.3482 3.522033   0  2  2    2   25.3501  3.521779    0.0019  0.000254
   26.4855 3.372846   1  3  1    2   26.4829  3.373168   -0.0026 -0.000322
   28.9175 3.093666   2  2  1    2   28.9247  3.092908    0.0072  0.000758
   30.5806 2.928647   0  4  1    2   30.5876  2.927988    0.0070  0.000659
   31.0412 2.886117   2  0  2    2   31.0314  2.887013   -0.0098 -0.000896
   32.2214 2.782776   1  3  2    2   32.2117  2.783593   -0.0097 -0.000817
   34.7005 2.588957   0  2  3    2   34.7068  2.588499    0.0063  0.000458
   35.7190 2.517264   0  4  2    2   35.7193  2.517240    0.0003  0.000024
   36.7302 2.450094   3  1  1    2   36.7310  2.450045    0.0008  0.000049
   38.4231 2.345716   2  4  1    2   38.4216  2.345804   -0.0015 -0.000089
   41.1865 2.194170   3  1  2    2   41.1919  2.193894    0.0054  0.000276
   42.2462 2.141442   3  3  1    2   42.2447  2.141514   -0.0015 -0.000072
   44.9359 2.019075   0  6  1    2   44.9354  2.019097   -0.0005 -0.000022
   47.8603 1.902092   3  1  3    2   47.8589  1.902146   -0.0014 -0.000054

 rmse = 0.00004430548
 
     A =     7.8396(7)         B =    12.4684(9)          C =     8.536(1)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    834.38(9)