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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070001
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.001
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.1076 5.859885  -1  1  1    2   15.1008  5.862519   -0.0068 -0.002635
   19.3550 4.582412   0  2  1    2   19.3543  4.582586   -0.0007 -0.000174
   21.0072 4.225577  -2  0  1    2   21.0134  4.224353    0.0062  0.001224
   22.5294 3.943389   1  1  1    2   22.5242  3.944281   -0.0052 -0.000892
   23.5311 3.777733   1  3  0    2   23.5293  3.778012   -0.0018 -0.000278
   24.5929 3.616976  -1  3  1    2   24.5906  3.617304   -0.0023 -0.000328
   25.7035 3.463150  -1  1  2    2   25.7019  3.463363   -0.0016 -0.000213
   26.8675 3.315692   2  2  0    2   26.8629  3.316255   -0.0046 -0.000562
   27.5913 3.230331   0  0  2    2   27.5895  3.230534   -0.0018 -0.000203
   29.8258 2.993204   1  3  1    2   29.8245  2.993335   -0.0013 -0.000131
   32.3373 2.766231  -1  3  2    2   32.3389  2.766095    0.0016  0.000136
   34.4077 2.604366  -3  1  2    2   34.4199  2.603473    0.0122  0.000893
   35.1606 2.550302   1  1  2    2   35.1586  2.550442   -0.0020 -0.000140
   35.5737 2.521627   3  1  0    2   35.5732  2.521662   -0.0005 -0.000034
   37.1617 2.417435  -1  5  1    2   37.1577  2.417686   -0.0040 -0.000250
   38.7583 2.321445  -1  1  3    2   38.7574  2.321496   -0.0009 -0.000051
   41.6485 2.166780   0  6  0    2   41.6466  2.166875   -0.0019 -0.000095
   44.0341 2.054764   0  6  1    2   44.0419  2.054417    0.0078  0.000347
   45.9849 1.972030   2  2  2    2   45.9822  1.972140   -0.0027 -0.000111
   47.0998 1.927915   4  0  0    2   47.1013  1.927855    0.0015  0.000060
   47.5216 1.911782  -4  0  3    2   47.5174  1.911940   -0.0042 -0.000158
   49.1179 1.853318   1  1  3    2   49.1143  1.853446   -0.0036 -0.000128
   58.8512 1.567885   0  2  4    2   58.8630  1.567599    0.0118  0.000287
   61.9106 1.497544   2  8  0    2   61.9096  1.497565   -0.0010 -0.000022
   71.9116 1.311887  -1  3  5    2   71.9067  1.311964   -0.0049 -0.000078

 rmse = 0.00005105717
 
     A =8.5791(6)              B =13.0013(7)              C =7.1881(4)           
 Alpha =90                  Beta =115.991(5)          Gamma =90                  
 
 Volume = 720.66(6)