Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f89aa9c365d5f94d4efdba4a6b27270e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.48,
"b": 88.58,
"c": 65.75,
"alpha": 90.000,
"beta": 114.038,
"gamma": 90.000
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.05,2.91],
"number_observations_unique": 10973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 93.8
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.965,2.91],
"number_observations_unique": 562,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.028
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.495
}
]
}
]
}