Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d438dd03fe99dc2b956421f732ec8117",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 166.630,
"b": 166.630,
"c": 40.098,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54184],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.77,2.81],
"number_observations_unique": 15700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.96,2.81],
"number_observations_unique": 2263,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.001
},
{
"type": "R(meas)",
"value": 1.067
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.657
}
]
}
]
}