Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb224491f931e01b6a083b91a2de10e4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 44.988,
"b": 53.768,
"c": 61.240,
"alpha": 90.000,
"beta": 100.793,
"gamma": 90.000
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.08,2.3],
"number_observations_unique": 6374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 7.45
},
{
"type": "Completeness",
"value": 98.56
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.383,2.301],
"number_observations_unique": 592,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.05
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 2.22
},
{
"type": "Completeness",
"value": 92.21
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
}
]
}