Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "44067446d48142f23e3b13d6ad29e1f2",
"space_group_name": "I 41 3 2",
"unit_cell": {
"a": 256.75,
"b": 256.75,
"c": 256.75,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97903],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.880,3.210],
"number_observations_unique": 23799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.320,3.210],
"number_observations_unique": 2305,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.407
},
{
"type": "R(meas)",
"value": 1.513
},
{
"type": "R(pim)",
"value": 0.542
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [46.880,12.440],
"number_observations_unique": 468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}