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求助cif中 A类错误解析
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1.The maximum difference density is > 0.1*ZMAX*2.00 _refine_diff_density_max given = 6.929 Test value = 5.800 2.Ratio of Maximum / Minimum Residual Density .... 11.55 3.Large Reported Max. (Positive) Residual Density 6.93 eA-3 4.Bond Calc 0.84(14), Rep 0.849(10) ...... 9.90 su-Ra O3 -H3A 1.555 1.555 |
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