Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "047c58f65c7356e5bdfa3790a8396b43",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.10,
"b": 76.25,
"c": 140.15,
"alpha": 90.00,
"beta": 93.75,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.000],
"number_observations_unique": 59210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07600
},
{
"type": "I/SigI",
"value": 10.91
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,2.00],
"number_observations_unique": 4328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.54500
},
{
"type": "I/SigI",
"value": 2.390
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
}
]
}