Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b9c11ec3469fa561c46118f04dc63037",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 83.472,
"b": 42.348,
"c": 52.579,
"alpha": 90.00,
"beta": 90.47,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.640,1.650],
"number_observations": 59267,
"number_observations_unique": 21249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 3116,
"number_observations_unique": 1083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
},
{
"resolution_limits": [19.640,8.890],
"number_observations": 367,
"number_observations_unique": 139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}