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ratio of the submitted crystal density and that calculated from the formula is outside the range 0.90 <> 1.10 Crystal density given = 1.474 Calculated crystal density = 1.822 The absolute value of parameter shift to su ratio > 0.20 Absolute value of the parameter shift to su ratio given 0.367 Additional refinement cycles may be required. Ôõô½â¾ö°¡£¬Ð»Ð» |
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