1440° (4 turn) data set from cubic insulin, with slight radiation damage

X-ray diffraction data set recorded on beamline i03 at Diamond Light Source, as part of a training workshop. Data were collected from a cubic insulin crystal prepared following standard methods with an Eiger 2XE 16M detector at 250Hz. Data Collection Parameters Wavelength 1.2399Å Oscillation angle 0.1° Nominal resolution (inscribed circle) 1.5 Total rotation 1440° Nominal flux 5e11 ph/s Beam size 80x20µm Merging stats from xia2 / DIALS automated online processing <pre>For mx30951v8/xins162/SAD Overall Low High High resolution limit 1.32 3.58 1.32 Low resolution limit 54.95 55.00 1.34 Completeness 98.7 100.0 83.3 Multiplicity 132.9 152.8 33.7 I/sigma 41.7 200.6 0.4 Rmerge(I) 0.072 0.044 4.027 Rmerge(I+/-) 0.071 0.043 3.977 Rmeas(I) 0.072 0.044 4.088 Rmeas(I+/-) 0.071 0.044 4.094 Rpim(I) 0.006 0.004 0.675 Rpim(I+/-) 0.008 0.005 0.940 CC half 1.000 1.000 0.360 Wilson B factor 19.890 Anomalous completeness 98.4 100.0 79.3 Anomalous multiplicity 69.1 84.3 17.7 Anomalous correlation 0.760 0.646 -0.050 Anomalous slope 0.613 dF/F 0.026 dI/s(dI) 1.013 Total observations 2426172 151841 26018 Total unique 18257 994 772 Assuming spacegroup: I 2 3 Unit cell (with estimated std devs): 77.71580(7) 77.71580(7) 77.71580(7) 90.0 90.0 90.0 </pre> Data are made available for any purpose including methods developers trying to optimize their software for higher multiplicity data sets.本数据集为钻石同步辐射光源（Diamond Light Source）i03光束线采集的X射线衍射数据集，属于某次培训工作坊的组成部分。数据采集自按照标准方法制备的立方体型胰岛素晶体，使用Eiger 2XE 16M探测器，以250Hz的频率完成采集。 数据采集参数如下： 波长：1.2399Å 振荡角度：0.1° 标称分辨率（内接圆法）：1.5 总旋转角度：1440° 标称光通量：5×10¹¹ ph/s 光束尺寸：80×20μm 来自xia2/DIALS自动化在线处理的合并统计数据如下： <pre>针对mx30951v8/xins162/单波长反常散射（SAD, Single-wavelength Anomalous Diffraction）： 整体 低值区间 高值区间 高分辨率极限 1.32 3.58 1.32 低分辨率极限 54.95 55.00 1.34 完整度 98.7 100.0 83.3 多重度 132.9 152.8 33.7 信噪比(I/σ(I)) 41.7 200.6 0.4 Rmerge(I) 0.072 0.044 4.027 Rmerge(I±) 0.071 0.044 3.977 Rmeas(I) 0.072 0.044 4.088 Rmeas(I±) 0.071 0.044 4.094 Rpim(I) 0.006 0.004 0.675 Rpim(I±) 0.008 0.005 0.940 CC₁/₂ 1.000 1.000 0.360 威尔逊B因子 19.890 — — 反常散射完整度 98.4 100.0 79.3 反常散射多重度 69.1 84.3 17.7 反常散射相关系数 0.760 0.646 -0.050 反常散射斜率 0.613 — — dF/F 0.026 — — dI/σ(dI) 1.013 — — 总观测数 2426172 151841 26018 唯一反射数 18257 994 772 推定空间群：I 2 3 晶胞参数（附带估计标准偏差）：77.71580(7) 77.71580(7) 77.71580(7) 90.0 90.0 90.0 </pre> 本数据集可用于任何用途，包括致力于针对高多重度数据集优化软件的方法学开发者使用。