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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040083
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.026
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.3790 7.159412   2  0  0    2   12.3799  7.158914    0.0009  0.000498
   16.6386 5.332015   1  1  0    2   16.6408  5.331325    0.0022  0.000689
   24.2560 3.670225   3  1  0    2   24.2512  3.670940   -0.0048 -0.000715
   29.9811 2.980514   3  1  1    2   29.9743  2.981176   -0.0068 -0.000662
   31.1473 2.871432   0  2  0    2   31.1387  2.872203   -0.0086 -0.000770
   35.1142 2.555353   0  0  2    2   35.1264  2.554493    0.0122  0.000860
   35.8724 2.503022   0  2  1    2   35.8627  2.503677   -0.0097 -0.000655
   37.6916 2.386204   6  0  0    2   37.6899  2.386305   -0.0017 -0.000101
   40.6943 2.216680   3  2  1    2   40.6858  2.217122   -0.0085 -0.000442
   43.1159 2.097546   3  1  2    2   43.1324  2.096784    0.0165  0.000763
   47.6251 1.908825   0  2  2    2   47.6263  1.908782    0.0012  0.000044
   49.6467 1.835687   6  2  0    2   49.6530  1.835470    0.0063  0.000217
   51.3990 1.777112   3  3  0    2   51.3991  1.777108    0.0001  0.000004
   52.4526 1.743851   6  0  2    2   52.4542  1.743802    0.0016  0.000049
   52.9867 1.727516   6  2  1    2   52.9913  1.727376    0.0046  0.000140
   59.8481 1.544722   3  1  3    2   59.8425  1.544852   -0.0056 -0.000130
   62.2656 1.490402   6  2  2    2   62.2569  1.490588   -0.0087 -0.000186
   67.7414 1.382585   0  4  1    2   67.7450  1.382521    0.0036  0.000065

 rmse = 0.00007652141
 
     A =    14.317(2)          B =     5.7444(4)          C =     5.1089(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    420.20(4)