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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050110
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.026
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.4101 6.152809   1  0  0    2   14.4049  6.155027   -0.0052 -0.002217
   18.8961 4.698965   1  1  0    2   18.8944  4.699384   -0.0017 -0.000419
   24.6350 3.614589  -1  0  2    2   24.6343  3.614696   -0.0007 -0.000108
   27.5513 3.237881  -1  1  2    2   27.5564  3.237290    0.0051  0.000592
   28.4113 3.141705   0  2  1    2   28.4128  3.141540    0.0015  0.000165
   29.0207 3.077044   2  0  0    2   29.0162  3.077513   -0.0045 -0.000470
   34.9858 2.564462  -1  2  2    2   34.9879  2.564315    0.0021  0.000146
   35.2143 2.548330  -2  2  1    2   35.2051  2.548976   -0.0092 -0.000646
   44.1302 2.051643   3  0  0    2   44.1295  2.051676   -0.0007 -0.000033
   44.9951 2.014171  -1  3  2    2   44.9957  2.014148    0.0006  0.000024
   45.7346 1.983290  -2  2  3    2   45.7305  1.983459   -0.0041 -0.000170
   45.9380 1.974975   3  1  0    2   45.9451  1.974688    0.0071  0.000287
   46.2667 1.961698   2  2  1    2   46.2714  1.961510    0.0047  0.000189
   51.1298 1.785848  -4  0  2    2   51.1235  1.786055   -0.0063 -0.000206
   55.2212 1.662756   3  1  1    2   55.2243  1.662671    0.0031  0.000085
   56.8533 1.618814  -2  2  4    2   56.8598  1.618645    0.0065  0.000169
   57.5535 1.600764   2  2  2    2   57.5540  1.600751    0.0005  0.000014
   59.7367 1.547343  -4  2  1    2   59.7369  1.547340    0.0002  0.000004
   60.1036 1.538768   4  0  0    2   60.1041  1.538757    0.0005  0.000011
   71.3091 1.321896   2  2  3    2   71.3021  1.322009   -0.0070 -0.000113
   89.6423 1.093012   5  1  1    2   89.6437  1.092998    0.0014  0.000014

 rmse = 0.00004991990
 
     A =     7.1451(4)         B =     7.2767(9)          C =     7.2294(5)      
 Alpha =    90.             Beta =   120.522(4)       Gamma =    90.             
 
 Volume =    323.79(3)