Crystallographic statistics and refinement details.
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https://figshare.com/articles/dataset/_Crystallographic_statistics_and_refinement_details_/960935
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资源简介:
#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.
创建时间:
2014-03-13



