Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "88cbec72d5d0025ef62eb9eeaff01894",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 97.80,
"b": 81.76,
"c": 51.72,
"alpha": 90.000,
"beta": 114.674,
"gamma": 90.000
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.004,1.244],
"number_observations_unique": 85942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.304,1.244],
"number_observations_unique": 4297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
}
]
}