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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050577
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.007
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.9754 9.836431   0  1  0    2    8.9834  9.827737    0.0080  0.008693
   13.8764 6.373209   0  0  1    2   13.8780  6.372497    0.0016  0.000712
   14.9279 5.926792   0 -1  1    2   14.9184  5.930546   -0.0095 -0.003754
   18.0219 4.916064   0  2  0    2   18.0300  4.913869    0.0081  0.002195
   21.4463 4.138479  -1 -2  1    2   21.4571  4.136416    0.0108  0.002063
   22.5058 3.946054  -1  1  0    2   22.5043  3.946314   -0.0015 -0.000260
   22.8323 3.890377   1  2  0    2   22.8332  3.890220    0.0009  0.000157
   24.5525 3.621647  -1  1  1    2   24.5492  3.622131   -0.0033 -0.000484
   27.1977 3.275214   0  3  0    2   27.1918  3.275912   -0.0059 -0.000698
   28.2007 3.160995  -1 -2  2    2   28.1983  3.161259   -0.0024 -0.000265
   28.8938 3.086745  -1  2  0    2   28.9010  3.085995    0.0072  0.000750
   34.7235 2.580810  -1 -4  1    2   34.7229  2.580853   -0.0006 -0.000044
   36.3565 2.468571   0 -4  1    2   36.3561  2.468596   -0.0004 -0.000025
   37.7575 2.380149   2  0  0    2   37.7561  2.380237   -0.0014 -0.000088
   38.2511 2.350569   1  0  2    2   38.2472  2.350797   -0.0039 -0.000228
   51.9357 1.758936   1  0  3    2   51.9377  1.758873    0.0020  0.000063

 rmse = 0.00003658325
 
     A =     5.2272(7)         B =    10.5494(9)          C =     6.961(1)       
 Alpha =   106.92(2)        Beta =   110.72(1)        Gamma =    72.13(1)        
 
 Volume =    334.47(6)