Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3dba7e5ead15f22c5970917ba83468a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.044,
"b": 41.628,
"c": 50.887,
"alpha": 90.0,
"beta": 112.7,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.15,1.30],
"number_observations_unique": 42991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 22.3
},
{
"type": "Completeness",
"value": 92.2
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.32,1.30],
"number_observations_unique": 1314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
}
]
}