Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5918a2804810ecda6b6813af3fa8d6d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 44.265,
"b": 82.348,
"c": 122.444,
"alpha": 90.000,
"beta": 94.927,
"gamma": 90.000
},
"wavelengths": [0.99700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.06],
"number_observations_unique": 26965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 34.2
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.14,2.07],
"number_observations_unique": 2675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.57
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
}
]
}