Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ff1a220ea1590bed95a522f36f01cf1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 171.855,
"b": 49.031,
"c": 91.817,
"alpha": 90.000,
"beta": 101.901,
"gamma": 90.000
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40,2.38],
"number_observations_unique": 30150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.48,2.38],
"number_observations_unique": 3223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 94
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
}
]
}