Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e066d51124cb9f0d5772b2b2a87175f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 100.531,
"b": 101.762,
"c": 126.019,
"alpha": 90.0,
"beta": 106.3,
"gamma": 90.0
},
"wavelengths": [1.00010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.25,1.47],
"number_observations_unique": 786650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.50,1.47],
"number_observations": 143821,
"number_observations_unique": 19700,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.553
},
{
"type": "R(meas)",
"value": 2.746
},
{
"type": "R(pim)",
"value": 1.005
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.370
}
]
}
]
}