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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050023
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.062
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.1131 4.424745   1  1  0    2   20.1161  4.424099    0.0030  0.000647
   20.9503 4.249252   0  2  0    2   20.9542  4.248461    0.0039  0.000791
   24.8432 3.589838   1  1  1    2   24.8408  3.590177   -0.0024 -0.000339
   25.5336 3.494079   0  2  1    2   25.5313  3.494389   -0.0023 -0.000310
   29.1086 3.071648   0  0  2    2   29.1056  3.071963   -0.0030 -0.000315
   34.6499 2.591169   2  0  0    2   34.6528  2.590957    0.0029  0.000212
   35.6177 2.522825   1  1  2    2   35.6107  2.523306   -0.0070 -0.000481
   40.8208 2.211972   2  2  0    2   40.8193  2.212049   -0.0015 -0.000077
   43.5039 2.081367   2  2  1    2   43.5062  2.081264    0.0023  0.000104
   45.1832 2.007728   0  4  1    2   45.1857  2.007622    0.0025  0.000106
   45.8311 1.980803   2  0  2    2   45.8368  1.980568    0.0057  0.000235
   47.0528 1.932112   1  3  2    2   47.0517  1.932155   -0.0011 -0.000044
   49.0342 1.858472   1  1  3    2   49.0333  1.858505   -0.0009 -0.000033
   49.4146 1.845033   0  2  3    2   49.4207  1.844818    0.0061  0.000215
   50.8906 1.794865   2  2  2    2   50.8838  1.795089   -0.0068 -0.000224
   52.3780 1.747280   0  4  2    2   52.3808  1.747194    0.0028  0.000086
   54.2039 1.692586   3  1  0    2   54.2005  1.692684   -0.0034 -0.000098
   56.3891 1.631994   3  1  1    2   56.3932  1.631884    0.0041  0.000110
   58.1397 1.586898   2  4  1    2   58.1371  1.586964   -0.0026 -0.000066
   59.1737 1.561582   1  5  1    2   59.1676  1.561730   -0.0061 -0.000148
   65.2764 1.429426   1  5  2    2   65.2812  1.429332    0.0048  0.000094
   70.8772 1.329475   3  3  2    2   70.8788  1.329449    0.0016  0.000026
   75.3207 1.261620   2  2  4    2   75.3184  1.261653   -0.0023 -0.000032

 rmse = 0.00004455493
 
     A =     5.1819(2)         B =     8.4969(3)          C =     6.1439(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    270.51(1)