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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050064
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.039
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1192 7.978581  -1  0  1    2   11.1218  7.976735    0.0026  0.001845
   17.6873 5.021271  -1  0  2    2   17.6881  5.021047    0.0008  0.000224
   22.1121 4.023692   2  0  0    2   22.1161  4.022970    0.0040  0.000722
   25.4996 3.495505  -2  1  1    2   25.5018  3.495211    0.0022  0.000294
   26.1463 3.410367   1  0  2    2   26.1414  3.410996   -0.0049 -0.000628
   27.7766 3.213513   2  0  1    2   27.7668  3.214623   -0.0098 -0.001111
   30.8110 2.903196  -1  1  3    2   30.8136  2.902956    0.0026  0.000241
   31.7100 2.822808   0  2  0    2   31.7075  2.823024   -0.0025 -0.000216
   33.6508 2.664119   1  2  0    2   33.6547  2.663817    0.0039  0.000302
   34.4562 2.603597  -3  1  1    2   34.4563  2.603591    0.0001  0.000006
   35.3915 2.536829   2  0  2    2   35.3966  2.536477    0.0051  0.000352
   42.8427 2.110891  -2  2  3    2   42.8406  2.110991   -0.0021 -0.000100

 rmse = 0.00003590324
 
     A =     8.901(1)          B =     5.6460(5)          C =    10.167(2)       
 Alpha =    90.             Beta =   115.32(1)        Gamma =    90.             
 
 Volume =    461.88(6)