Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36b49f268678ebfa50d598a2b9682bcb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.230,
"b": 89.806,
"c": 67.005,
"alpha": 90.00,
"beta": 103.96,
"gamma": 90.00
},
"wavelengths": [0.82656],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.44,1.85],
"number_observations_unique": 42829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.7
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.89,1.85],
"number_observations_unique": 2066,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.047
},
{
"type": "R(pim)",
"value": 0.847
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 75.4
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
}
]
}