Example Data Set From Diamond Light Source Vmxi Beamline (Eiger 4M Data, Nexus Format)

Data set recorded from Thermolysin crystal record <em>in situ</em> with Eiger 4M detector, to demonstrate file format used for this instrument at Diamond Light Source. Processing results using xia2 / DIALS: <pre>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 </pre>