Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77ada8d415b850b085cc2844516222dd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 172.651,
"b": 147.159,
"c": 100.803,
"alpha": 90.000,
"beta": 123.798,
"gamma": 90.000
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84,3.0],
"number_observations_unique": 41694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 20.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.05,3.0],
"number_observations_unique": 1857,
"quality_factors": [
{
"type": "I/SigI",
"value": 0.2
},
{
"type": "Completeness",
"value": 87.6
},
{
"type": "Redundancy",
"value": 18.3
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
}
]
}