Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8cb619eb7f01f76e5fe8e87e0962a255",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 71.067,
"b": 38.703,
"c": 22.936,
"alpha": 90.00,
"beta": 101.98,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.82,1.02],
"number_observations_unique": 27275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 86.9
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [20.93,3.22],
"number_observations_unique": 1024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 40.1
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.07,1.02],
"number_observations_unique": 1775,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.238
},
{
"type": "R(meas)",
"value": 1.384
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 38.8
},
{
"type": "Redundancy",
"value": 5
},
{
"type": "CC(1/2)",
"value": 0.519
}
]
}
]
}