Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f98dfdd75380b3659346b491e420d6ba",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 60.203,
"b": 60.203,
"c": 231.268,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.090,1.459],
"number_observations_unique": 84899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.460],
"number_observations": 43635,
"number_observations_unique": 11256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.880
}
]
},
{
"resolution_limits": [77.090,4.610],
"number_observations": 29342,
"number_observations_unique": 3032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 53.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}