Example data set from Diamond Light Source VMXi beamline (Eiger 4M data, NeXus format)
收藏NIAID Data Ecosystem2026-03-11 收录
下载链接:
https://zenodo.org/record/1195870
下载链接
链接失效反馈官方服务:
资源简介:
Data set recorded from Thermolysin crystal record in situ with Eiger 4M detector, to demonstrate file format used for this instrument at Diamond Light Source. Processing results using xia2 / DIALS:
For AUTOMATIC/DEFAULT/SAD Overall Low High
High resolution limit 1.97 5.35 1.97
Low resolution limit 46.86 46.87 2.01
Completeness 59.8 73.2 6.0
Multiplicity 5.8 8.0 1.1
I/sigma 13.6 24.4 1.8
Rmerge(I) 0.072 0.050 0.308
Rmerge(I+/-) 0.067 0.048 0.000
Rmeas(I) 0.078 0.054 0.436
Rmeas(I+/-) 0.076 0.054 0.000
Rpim(I) 0.028 0.018 0.308
Rpim(I+/-) 0.035 0.023 0.000
CC half 0.997 0.998 0.450
Wilson B factor 13.401
Anomalous completeness 51.3 78.8 0.8
Anomalous multiplicity 3.3 4.8 1.0
Anomalous correlation 0.039 -0.006 0.000
Anomalous slope 0.987
dF/F 0.103
dI/s(dI) 1.086
Total observations 85069 8229 82
Total unique 14747 1031 73
Assuming spacegroup: P 6 2 2
Other likely alternatives are:
P 61 2 2
P 65 2 2
P 62 2 2
P 64 2 2
P 63 2 2
Unit cell (with estimated std devs):
93.7184(3) 93.7184(3) 130.864(2)
90.0 90.0 120.0
创建时间:
2020-01-24



