Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "379e0bd8b8b8c11a6824f98cfd1e724e",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.513,
"b": 58.213,
"c": 67.543,
"alpha": 71.326,
"beta": 89.938,
"gamma": 74.862
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.02,2.28],
"number_observations_unique": 26004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0820
},
{
"type": "I/SigI",
"value": 9.17
},
{
"type": "Completeness",
"value": 92.3
},
{
"type": "Redundancy",
"value": 2.52
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.38,2.28],
"number_observations_unique": 3005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3383
},
{
"type": "I/SigI",
"value": 2.16
},
{
"type": "Completeness",
"value": 88.2
},
{
"type": "Redundancy",
"value": 1.05
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
}
]
}