Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8d62949c126ff10baf338b712883497c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.819,
"b": 83.522,
"c": 95.425,
"alpha": 90.00,
"beta": 91.64,
"gamma": 90.00
},
"wavelengths": [2.80000,4.50000,1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.8,2.4],
"number_observations_unique": 28304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 77.3
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
"refln_shells": [
{
"resolution_limits": [2.52,2.4],
"number_observations_unique": 1083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 62.4
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.686
}
]
},
{
"resolution_limits": [1.71,1.65],
"number_observations_unique": 10773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "R(pim)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 2.4
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
}
]
}