Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5de0dfc493a260c3bbf5a8b10d967840",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.01,
"b": 51.84,
"c": 53.64,
"alpha": 92.17,
"beta": 92.67,
"gamma": 112.83
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.48,2.21],
"number_observations_unique": 19751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.29,2.21],
"number_observations_unique": 1347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 68.6
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
}
]
}