Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84c1c5b1bc5d929a1f1e158a3175aeac",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 56.83,
"b": 59.38,
"c": 77.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.260,1.650],
"number_observations_unique": 31981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 10976,
"number_observations_unique": 1556,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.656
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.399
}
]
},
{
"resolution_limits": [36.260,9.040],
"number_observations": 1421,
"number_observations_unique": 247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}