Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9cabd9c3aebc0a12dc64d07087eab953",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 89.336,
"b": 89.336,
"c": 74.324,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.81530],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.367,1.561],
"number_observations_unique": 40562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.14
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 94.9
},
{
"type": "Redundancy",
"value": 17.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.652,1.561],
"number_observations_unique": 2028,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.153
},
{
"type": "R(pim)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "CC(1/2)",
"value": 0.632
}
]
}
]
}