Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "498d4a8b8836d83222239b9c3b5d12f7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 116.888,
"b": 230.379,
"c": 54.244,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.190,2.560],
"number_observations": 103577,
"number_observations_unique": 23715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.680,2.560],
"number_observations": 12051,
"number_observations_unique": 2729,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.373
},
{
"type": "R(meas)",
"value": 1.560
},
{
"type": "R(pim)",
"value": 0.723
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.592
}
]
},
{
"resolution_limits": [115.190,8.880],
"number_observations": 2367,
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}