Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "be8ca4b69f34c6af2cdb3581f192ea5e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.06,
"b": 80.59,
"c": 74.83,
"alpha": 90.00,
"beta": 101.31,
"gamma": 90.00
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.01,2.73],
"number_observations_unique": 16875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.96
}
]
},
"refln_shells": [
{
"resolution_limits": [2.8,2.73],
"number_observations_unique": 1174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "CC(1/2)",
"value": 0.94
}
]
}
]
}