Cubic insulin data set collected from multiple lattices on i03 at Diamond Light Source

Dataset collected as part of routine commissioning work, found to have more than one crystal present at the point where data were collected, allowing multiple lattices to be processed. While three lattices are present one is substantially weaker than the other two. Uploading to enable methods development and also to use for tutorials on how to use dials software. Processing data with the usual dials scripts (which will point to this deposition) result in statistics shown below. Tutorial to be uploaded to https://github.com/graeme-winter/dials_tutorials when available. -------------Summary of merging statistics-------------- Suggested Low High OverallHigh resolution limit 1.51 4.10 1.51 1.48Low resolution limit 54.89 54.93 1.54 54.89Completeness 98.9 100.0 83.7 95.3Multiplicity 54.7 78.1 4.6 53.5I/sigma 18.9 89.2 0.3 18.4Rmerge(I) 0.139 0.060 1.423 0.139Rmerge(I+/-) 0.138 0.060 1.316 0.138Rmeas(I) 0.140 0.061 1.590 0.140Rmeas(I+/-) 0.140 0.060 1.609 0.140Rpim(I) 0.016 0.007 0.683 0.016Rpim(I+/-) 0.023 0.009 0.894 0.023CC half 1.000 1.000 0.271 1.000Anomalous completeness 97.8 100.0 67.8 92.3Anomalous multiplicity 28.7 43.6 2.6 28.3Anomalous correlation 0.038 0.276 -0.050 0.049Anomalous slope 0.667 dF/F 0.060 dI/s(dI) 0.629 Total observations 669615 52255 2342 670277Total unique 12231 669 507 12529本数据集采集自常规调试工作流程，数据采集点位处存在多颗晶体，因此可对多个晶胞点阵进行处理。 本次共存在三个晶胞点阵，其中一个的信号强度显著弱于另外两个。 上传本数据集旨在支撑方法学研发，同时可作为DIALS软件（dials）使用教程的教学示例。 使用常规dials脚本（将指向本数据集的存档）处理数据后，可得到如下统计结果。相关教程将于准备就绪后上传至https://github.com/graeme-winter/dials_tutorials。 -------------合并统计量汇总-------------- 建议值 低分辨率段 高分辨率段 整体 高分辨率极限 1.51 4.10 1.51 1.48 低分辨率极限 54.89 54.93 1.54 54.89 完整率 98.9 100.0 83.7 95.3 多重度 54.7 78.1 4.6 53.5 I/σ(I) 18.9 89.2 0.3 18.4 Rmerge(I) 0.139 0.060 1.423 0.139 Rmerge(I+/-) 0.138 0.060 1.316 0.138 Rmeas(I) 0.140 0.061 1.590 0.140 Rmeas(I+/-) 0.140 0.060 1.609 0.140 Rpim(I) 0.016 0.007 0.683 0.016 Rpim(I+/-) 0.023 0.009 0.894 0.023 CC₁/₂ 1.000 1.000 0.271 1.000 反常散射完整率 97.8 100.0 67.8 92.3 反常散射多重度 28.7 43.6 2.6 28.3 反常散射相关系数 0.038 0.276 -0.050 0.049 反常散射斜率 0.667 ΔF/F 0.060 ΔI/s(ΔI) 0.629 总观测数 669615 52255 2342 670277 唯一反射数 12231 669 507 12529