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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050091
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.034
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.5877 9.249725   1  1  0    2    9.5922  9.245347    0.0045  0.004378
   15.0404 5.898810   1  0  2    2   15.0473  5.896106    0.0069  0.002703
   16.5087 5.376241   1  1  2    2   16.5156  5.373993    0.0069  0.002249
   19.2136 4.623699   2  2  0    2   19.2179  4.622674    0.0043  0.001026
   23.5075 3.786724   2  2  2    2   23.5050  3.787127   -0.0025 -0.000403
   27.2686 3.271715   4  0  0    2   27.2670  3.271909   -0.0016 -0.000194
   27.8755 3.201761   1  0  4    2   27.8752  3.201795   -0.0003 -0.000034
   28.0892 3.177856   2  3  2    2   28.0901  3.177753    0.0009  0.000104
   28.9789 3.082168   3  3  0    2   28.9826  3.081782    0.0037  0.000386
   30.5985 2.922435   2  4  0    2   30.6039  2.921930    0.0054  0.000505
   32.0613 2.792217   3  3  2    2   32.0557  2.792693   -0.0056 -0.000477
   33.5115 2.674502   4  2  2    2   33.5090  2.674697   -0.0025 -0.000195
   36.9840 2.430739   3  4  2    2   36.9838  2.430753   -0.0002 -0.000014
   38.9696 2.311227   4  4  0    2   38.9677  2.311337   -0.0019 -0.000109
   39.3852 2.287770   4  1  4    2   39.3764  2.288261   -0.0088 -0.000491
   40.0199 2.252907   3  3  4    2   40.0177  2.253025   -0.0022 -0.000118
   41.4743 2.177137   0  6  0    2   41.4764  2.177032    0.0021  0.000105
   45.6331 1.987775   2  2  6    2   45.6385  1.987554    0.0054  0.000221
   48.6712 1.870472   6  3  2    2   48.6736  1.870384    0.0024  0.000088
   49.9578 1.825240   0  4  6    2   49.9538  1.825378   -0.0040 -0.000138
   50.7358 1.799042   7  0  2    2   50.7382  1.798963    0.0024  0.000080
   55.6513 1.651118   0  0  8    2   55.6531  1.651068    0.0018  0.000050
   57.0722 1.613314   5  5  4    2   57.0708  1.613351   -0.0014 -0.000036
   88.7028 1.102219  11  4  2    2   88.7028  1.102219    0.0000  0.000000

 rmse = 0.00003274901
 
     A =    13.0876(3)         B =    13.0621(7)          C =    13.2085(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2258.0(1)