Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66a957fc67d6c2ebebe75a0d7e506bea",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 135.189,
"b": 239.861,
"c": 138.456,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.810,2.590],
"number_observations": 590846,
"number_observations_unique": 69594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.590],
"number_observations": 36699,
"number_observations_unique": 4259,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.131
},
{
"type": "R(meas)",
"value": 2.270
},
{
"type": "R(pim)",
"value": 0.771
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [48.810,12.440],
"number_observations": 4417,
"number_observations_unique": 673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}