Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "bdc7810f2797f606dfc6d7bc22be06ce",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 55.249,
"b": 81.625,
"c": 88.717,
"alpha": 90.0,
"beta": 96.6,
"gamma": 90.0
},
"wavelengths": [1.54060,2.00000,4.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.26,1.90],
"number_observations_unique": 30828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.90],
"number_observations_unique": 3093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.675
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.477
}
]
},
{
"resolution_limits": [2.38,2.30],
"number_observations_unique": 1434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 83.8
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
}
]
}