Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e1f0f15f03fa8914795b9cc18146cc1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 28.853,
"b": 53.280,
"c": 60.817,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.560],
"number_observations_unique": 13917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.560],
"number_observations_unique": 917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [1.640,1.600],
"number_observations_unique": 888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "R(pim)",
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},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [1.680,1.640],
"number_observations_unique": 928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
}
]
}