Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80f0ae1978ec0636c7e1236368a2acfc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.332,
"b": 61.266,
"c": 94.969,
"alpha": 90.00,
"beta": 92.08,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.450,1.550],
"number_observations": 332167,
"number_observations_unique": 101022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 16356,
"number_observations_unique": 5040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [47.450,8.490],
"number_observations": 2206,
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}