Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ccfd8ec36973ec544bb07dbc0b0453e1",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 170.83,
"b": 170.83,
"c": 262.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.750,2.320],
"number_observations": 3267250,
"number_observations_unique": 83755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 39.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.320],
"number_observations": 183488,
"number_observations_unique": 4522,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.271
},
{
"type": "R(meas)",
"value": 2.299
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 40.600
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [47.750,12.060],
"number_observations": 19451,
"number_observations_unique": 681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 28.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}