Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b262ab24f5d9411e2740db9922ca52a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 124.852,
"b": 80.749,
"c": 62.688,
"alpha": 90.00,
"beta": 91.33,
"gamma": 90.00
},
"wavelengths": [0.97936],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.580,2.21],
"number_observations_unique": 31114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.29,2.21],
"number_observations_unique": 3000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 95.5
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
}
]
}