Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b7262f86c89d7a1d7fd8d3385de8ac2",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 156.168,
"b": 156.168,
"c": 114.019,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.64,4.56],
"number_observations_unique": 9360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.20
},
{
"type": "R(pim)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [4.68,4.56],
"number_observations_unique": 431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.78
},
{
"type": "R(pim)",
"value": 0.37
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
}
]
}