Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6eb7758b1bb1f6980725ed2baed5192a",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.004,
"b": 96.579,
"c": 57.740,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.970,1.890],
"number_observations": 119451,
"number_observations_unique": 18568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.890],
"number_observations": 6277,
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.868
},
{
"type": "R(meas)",
"value": 0.953
},
{
"type": "R(pim)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [29.970,9.070],
"number_observations": 1196,
"number_observations_unique": 197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 45.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}