Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54f2269e0a081849175aa88eb0e1ff70",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 169.89,
"b": 223.01,
"c": 194.70,
"alpha": 90.0,
"beta": 101.6,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.260,3.550],
"number_observations": 267013,
"number_observations_unique": 82834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.382
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
"refln_shells": [
{
"resolution_limits": [3.620,3.550],
"number_observations": 14436,
"number_observations_unique": 4583,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.503
},
{
"type": "R(meas)",
"value": 1.819
},
{
"type": "R(pim)",
"value": 1.007
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.322
}
]
},
{
"resolution_limits": [96.260,18.450],
"number_observations": 2257,
"number_observations_unique": 635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
}
]
}