Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc5fbdd9ac4dfe871c842fd3253ccd13",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 161.420,
"b": 161.420,
"c": 140.051,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.890,2.240],
"number_observations": 1117848,
"number_observations_unique": 51846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.240],
"number_observations": 87038,
"number_observations_unique": 4420,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.135
},
{
"type": "R(pim)",
"value": 0.719
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.582
}
]
},
{
"resolution_limits": [52.890,9.250],
"number_observations": 19503,
"number_observations_unique": 876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 31.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 22.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}