Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b5c9e6f755fea89002f62dccaa266a1",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.183,
"b": 71.183,
"c": 149.739,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.2960,1.450],
"number_observations": 888278,
"number_observations_unique": 69033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 36714,
"number_observations_unique": 3306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "R(meas)",
"value": 0.715
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [29.300,7.940],
"number_observations": 5494,
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}