Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d594676670d01cb5ced13f8a723bc2cc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.15,
"b": 78.21,
"c": 44.53,
"alpha": 90.000,
"beta": 118.462,
"gamma": 90.000
},
"wavelengths": [0.99988],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.40],
"number_observations_unique": 50930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 28.16
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 3.44
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.50,1.40],
"number_observations_unique": 8653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 9.84
},
{
"type": "Completeness",
"value": 88.6
},
{
"type": "Redundancy",
"value": 2.66
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}