Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b3235dcdf42893cb87e35c977055355e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 89.690,
"b": 159.270,
"c": 249.399,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.990,3.100],
"number_observations": 89050,
"number_observations_unique": 31869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [3.270,3.100],
"number_observations": 10474,
"number_observations_unique": 4366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(pim)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.651
}
]
},
{
"resolution_limits": [19.990,9.800],
"number_observations": 2681,
"number_observations_unique": 929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}