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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040057
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.036
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.3268 5.124435   0  2  0    2   17.3328  5.122659    0.0060  0.001775
   22.8328 3.897660   0  2  1    2   22.8399  3.896468    0.0071  0.001192
   23.8595 3.731956   1  0  1    2   23.8536  3.732871   -0.0059 -0.000916
   32.2597 2.775687   1  3  0    2   32.2538  2.776185   -0.0059 -0.000498
   35.6375 2.519692   1  3  1    2   35.6373  2.519709   -0.0002 -0.000017
   36.4560 2.464920   1  1  2    2   36.4537  2.465072   -0.0023 -0.000152
   38.2109 2.355545   0  4  1    2   38.2067  2.355795   -0.0042 -0.000251
   38.7878 2.321794   2  1  0    2   38.7934  2.321471    0.0056  0.000323
   39.6074 2.275573   1  2  2    2   39.6107  2.275392    0.0033  0.000181
   39.9589 2.256344   1  4  0    2   39.9605  2.256258    0.0016  0.000086
   41.7248 2.164757   2  1  1    2   41.7166  2.165165   -0.0082 -0.000408
   44.4448 2.038273   1  3  2    2   44.4527  2.037928    0.0079  0.000345
   48.3457 1.882403   1  5  0    2   48.3427  1.882514   -0.0030 -0.000111
   52.1517 1.753527   2  2  2    2   52.1474  1.753662   -0.0043 -0.000135
   54.7694 1.675687   2  4  1    2   54.7762  1.675495    0.0068  0.000192
   72.7865 1.298807   0  6  3    2   72.7854  1.298823   -0.0011 -0.000016

 rmse = 0.00005195092
 
     A =     4.7669(4)         B =    10.2453(7)          C =     6.0021(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    293.13(3)