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SHFSU01_ALERT_2_A  The absolute value of parameter shift to su ratio > 0.20
            Absolute value of the parameter shift to su ratio given   3.010
            Additional refinement cycles may be required.
PLAT080_ALERT_2_A Maximum Shift/Error ............................       3.01      

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GooF = S =     1.081;     Restrained GooF =      1.081  for      0 restraints
R1 =  0.0526 for   2016 Fo > 4sig(Fo)  and  0.0667 for all   2656 data
wR2 =  0.1414,  GooF = S =   1.081,  Restrained GooF =    1.081  for all data
R1 =  0.0640 for   2656 unique reflections after merging for Fourier
Highest peak    1.57  at  0.3389  0.3268  0.4945  [  1.05 A from BR1 ]
Deepest hole   -0.92  at  0.1686  0.2217  0.5838  [  0.94 A from BR1 ]
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nature110(½ð±Ò+3): 2011-09-04 23:54:41
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SHFSU01_ALERT_2_A  The absolute value of parameter shift to su ratio > 0.20
            Absolute value of the parameter shift to su ratio given   3.010
            Additional refinement  ...

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