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Updated example thaumatin data set from Diamond Light Source VMXi

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Zenodo2020-07-17 更新2026-05-25 收录
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https://zenodo.org/record/2547566
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Example data set from the VMXi beamline at Diamond Light Source recorded in situ from a thaumatin crystal with processing results: <pre>For AUTOMATIC/DEFAULT/NATIVE Overall Low High High resolution limit 1.85 5.02 1.85 Low resolution limit 50.49 50.50 1.88 Completeness 68.0 100.0 2.7 Multiplicity 3.3 3.9 1.0 I/sigma 12.9 24.8 1.4 Rmerge(I) 0.056 0.031 0.386 Rmerge(I+/-) 0.047 0.027 0.000 Rmeas(I) 0.065 0.035 0.545 Rmeas(I+/-) 0.061 0.035 0.000 Rpim(I) 0.032 0.017 0.386 Rpim(I+/-) 0.038 0.022 0.000 CC half 0.998 0.999 0.000 Wilson B factor 20.100 Anomalous completeness 58.0 99.8 0.1 Anomalous multiplicity 1.9 2.4 1.0 Anomalous correlation -0.015 -0.107 0.000 Anomalous slope 0.928 Total observations 53105 5240 32 Total unique 15898 1349 31 Assuming spacegroup: P 41 21 2 Other likely alternatives are: P 43 21 2 Unit cell (with estimated std devs): 58.6330(3) 58.6330(3) 151.4573(10) 90.0 90.0 90.0 </pre>
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Zenodo
创建时间:
2019-01-23
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