Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e560c7c23ce94c7975e8f12de9abb3a1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 65.675,
"b": 106.030,
"c": 126.977,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.726,1.818],
"number_observations_unique": 80471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.8
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.849,1.818],
"number_observations_unique": 3966,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.479
},
{
"type": "R(meas)",
"value": 1.560
},
{
"type": "R(pim)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
}
]
}