Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "da299b06f08355e842b12158421f58de",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.702,
"b": 88.702,
"c": 39.565,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.350,1.020],
"number_observations": 1008624,
"number_observations_unique": 156464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.020],
"number_observations": 45415,
"number_observations_unique": 7676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [44.350,5.590],
"number_observations": 7141,
"number_observations_unique": 1040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 41.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}