Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a134f32bdc1d5b3c2e2599162af02d9c",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 72.719,
"b": 37.286,
"c": 83.821,
"alpha": 90.00,
"beta": 106.83,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.12,2.05],
"number_observations_unique": 13719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06717
},
{
"type": "I/SigI",
"value": 13.56
},
{
"type": "Completeness",
"value": 99.59
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.123,2.05],
"number_observations_unique": 1345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4526
},
{
"type": "I/SigI",
"value": 3.56
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
}
]
}