Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "816bee8762c3564324bb3f44db4f632f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 233.657,
"b": 49.033,
"c": 113.040,
"alpha": 90.00,
"beta": 115.95,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.690,2.950],
"number_observations": 186480,
"number_observations_unique": 24843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.110,2.950],
"number_observations": 27394,
"number_observations_unique": 3602,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.142
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [48.690,9.330],
"number_observations": 5645,
"number_observations_unique": 849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 39.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}