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Crystallographic statistics and refinement details.

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Figshare2015-12-02 更新2026-04-29 收录
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#SAD – Single-wavelength anomalous diffraction.aRsym = Σ |Ii−|/Σ|Ii| where Ii is the intensity of the ith measurement, and is the mean intensity for that reflection.bRwork = Σ |Fobs−Fcalc|/Σ|Fobs| where Fcalc and Fobs are the calculated and observed structure factor amplitudes, respectively.cRfree = as for Rwork, but for 10.0% of the total reflections chosen at random and omitted from refinement.Individual B-factor refinement was carried out.*Values in parentheses are for highest resolution bin.
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2015-12-02
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