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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050506
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.004
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.3434 5.768544   1  0  1    2   15.3415  5.769252   -0.0019 -0.000708
   17.9737 4.930044   0  1  1    2   17.9717  4.930580   -0.0020 -0.000536
   21.6500 4.100639   1  1  1    2   21.6486  4.100898   -0.0014 -0.000259
   22.6819 3.916395   1  0  2    2   22.6811  3.916523   -0.0008 -0.000128
   24.0731 3.693158   2  0  0    2   24.0723  3.693275   -0.0008 -0.000117
   25.9565 3.429337   2  0  1    2   25.9560  3.429398   -0.0005 -0.000061
   27.4072 3.251049   1  1  2    2   27.4068  3.251095   -0.0004 -0.000046
   28.5832 3.119927   2  1  0    2   28.5828  3.119970   -0.0004 -0.000044
   30.9708 2.884662   2  0  2    2   30.9712  2.884626    0.0004  0.000036
   31.4424 2.842468   1  0  3    2   31.4431  2.842408    0.0007  0.000061
   32.9969 2.712039   1  2  0    2   33.0021  2.711624    0.0052  0.000414
   34.4379 2.601797   1  2  1    2   34.4369  2.601867   -0.0010 -0.000070
   34.6607 2.585583   2  1  2    2   34.6621  2.585481    0.0014  0.000101
   35.0894 2.554973   1  1  3    2   35.0897  2.554951    0.0003  0.000022
   36.4105 2.465253   0  2  2    2   36.4099  2.465290   -0.0006 -0.000037
   37.7773 2.379151   3  0  1    2   37.7775  2.379140    0.0002  0.000010
   38.4605 2.338450   1  2  2    2   38.4599  2.338484   -0.0006 -0.000034
   38.9587 2.309688   0  0  4    2   38.9592  2.309658    0.0005  0.000031
   39.3397 2.288195   2  2  0    2   39.3390  2.288235   -0.0007 -0.000040
   44.1275 2.050418   2  2  2    2   44.1268  2.050449   -0.0007 -0.000031
   46.3219 1.958271   2  0  4    2   46.3221  1.958261    0.0002  0.000010
   50.3604 1.810304   0  2  4    2   50.3597  1.810326   -0.0007 -0.000022

 rmse = 0.00001139704
 
     A =7.3865(2)              B =5.8303(1)               C =9.2386(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 397.87(1)