Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "222c6f2ffffe0ab480ca635a8959b7be",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.253,
"b": 58.099,
"c": 49.734,
"alpha": 90.0,
"beta": 112.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.940,1.850],
"number_observations_unique": 22772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 4502,
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.686
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [46.940,9.060],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}