Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4b13eba38e07e62933611bdd039403a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.91,
"b": 65.96,
"c": 55.04,
"alpha": 90.00,
"beta": 99.62,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.99],
"number_observations_unique": 21049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 25.8
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.11,1.99],
"number_observations_unique": 3344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
}
]
}