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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060161
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.061
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.8822 8.169335   1  0  1    2   10.8981  8.157404    0.0159  0.011932
   13.9134 6.387729   0  1  2    2   13.9222  6.383672    0.0088  0.004057
   16.5826 5.361236   1  2  1    2   16.5907  5.358617    0.0081  0.002619
   17.6453 5.039547   0  2  2    2   17.6481  5.038746    0.0028  0.000801
   17.8957 4.969350   2  0  0    2   17.9016  4.967719    0.0059  0.001631
   20.7245 4.294986   1  0  3    2   20.7241  4.295078   -0.0004 -0.000092
   24.2502 3.676350   1  2  3    2   24.2528  3.675955    0.0026  0.000396
   25.7633 3.463247   0  1  4    2   25.7529  3.464621   -0.0104 -0.001374
   27.4088 3.258484   1  4  1    2   27.4140  3.257871    0.0052  0.000613
   27.6885 3.226127   3  0  1    2   27.6870  3.226295   -0.0015 -0.000168
   28.4017 3.146540   3  1  1    2   28.4042  3.146268    0.0025  0.000272
   28.9267 3.090493   2  3  2    2   28.9205  3.091141   -0.0062 -0.000648
   30.4600 2.938011   3  2  1    2   30.4626  2.937768    0.0026  0.000243
   35.0625 2.561496   1  2  5    2   35.0571  2.561882   -0.0054 -0.000386
   35.6683 2.519292   0  4  4    2   35.6671  2.519373   -0.0012 -0.000080
   37.6837 2.388837   3  4  1    2   37.6863  2.388678    0.0026  0.000159
   38.6343 2.332125   2  5  2    2   38.6323  2.332242   -0.0020 -0.000117
   38.9396 2.314511   4  1  2    2   38.9344  2.314807   -0.0052 -0.000295
   51.1513 1.786286   0  0  8    2   51.1545  1.786181    0.0032  0.000104
   55.5032 1.655930   6  0  0    2   55.5041  1.655906    0.0009  0.000024

 rmse = 0.00003456335
 
     A =     9.9354(4)         B =    14.214(1)           C =    14.2894(7)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2018.0(2)