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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050588
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    7.151412.402136   1  0  0    2    7.1662 12.376523    0.0148  0.025613
   14.6924 6.036330  -1  1  1    2   14.6941  6.035654    0.0017  0.000676
   18.2066 4.876456  -2  1  1    2   18.2086  4.875916    0.0020  0.000539
   20.3219 4.372647   1  2  0    2   20.3258  4.371810    0.0039  0.000837
   20.7300 4.287354  -1  0  2    2   20.7241  4.288567   -0.0059 -0.001213
   21.5496 4.125883   3  0  0    2   21.5516  4.125508    0.0020  0.000375
   22.1025 4.023768  -1  2  1    2   22.1082  4.022747    0.0057  0.001021
   22.8271 3.897487  -1  1  2    2   22.8252  3.897806   -0.0019 -0.000319
   24.2601 3.670135   1  0  2    2   24.2647  3.669452    0.0046  0.000683
   24.6225 3.616866  -2  2  1    2   24.6166  3.617722   -0.0059 -0.000856
   30.8561 2.898208  -1  3  1    2   30.8538  2.898414   -0.0023 -0.000206
   31.3076 2.857394  -4  0  2    2   31.3044  2.857677   -0.0032 -0.000283
   33.7206 2.658055   0  1  3    2   33.7134  2.658609   -0.0072 -0.000555
   35.6716 2.516900   3  1  2    2   35.6691  2.517068   -0.0025 -0.000168
   41.7740 2.161986   5  1  1    2   41.7773  2.161822    0.0033  0.000164
   48.9473 1.860407   2  3  3    2   48.9560  1.860097    0.0087  0.000310
   50.0991 1.820276  -4  2  4    2   50.1014  1.820197    0.0023  0.000079
   55.8444 1.645747   2  4  3    2   55.8401  1.645864   -0.0043 -0.000116
   62.0494 1.495152   7  0  2    2   62.0480  1.495182   -0.0014 -0.000030

 rmse = 0.00004027730
 
     A =    12.803(1)          B =     9.346(1)           C =     8.6064(7)      
 Alpha =    90.             Beta =   104.836(6)       Gamma =    90.             
 
 Volume =    995.5(1)