Nidppe Data Recorded As Part Of Beamline Commissioning At Diamond Light Source I19-1

This is an example data set recorded as part of beamline commissioning, consisting of a 360-degree phi scan with two-theta = 0 followed by three 170-degree omega scans with phi = 0, 120, 240 with two-theta offset to 30-degrees. Data recorded with a Pilatus 2M detector with 320um sensor, so the detector sensitivity needs to be considered carefully. Automatic processing using xia2 &amp; DIALS gives: High resolution limit 0.65 3.56 0.65<br> Low resolution limit 11.33 11.33 0.66<br> Completeness 98.2 99.1 69.8<br> Multiplicity 6.1 12.9 1.6<br> I/sigma 12.0 71.2 0.9<br> Rmerge 0.044 0.021 0.490<br> Rmeas(I) 0.047 0.022 0.674<br> Rmeas(I+/-) 0.047 0.022 0.674<br> Rpim(I) 0.016 0.006 0.460<br> Rpim(I+/-) 0.016 0.006 0.460<br> CC half 1.000 1.000 0.732<br> Total observations 57622 890 547<br> Total unique 9400 69 332<br> Assuming spacegroup: P 1 21/n 1<br> Unit cell:<br> 9.417 17.109 15.392<br> 90.000 100.851 90.000