Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d123c113aefefe25cd48a48b6d6443e",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 52.260,
"b": 83.331,
"c": 91.004,
"alpha": 90.0,
"beta": 95.5,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.33,1.90],
"number_observations_unique": 29235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 13.17
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.90],
"number_observations_unique": 2850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 1.94
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
}
]
}