Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "efd44a938f312b6c2542c1cd4c0a01a9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.014,
"b": 53.728,
"c": 45.345,
"alpha": 90.000,
"beta": 101.437,
"gamma": 90.000
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.42,2.206],
"number_observations_unique": 13678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.33,2.21],
"number_observations": 12918,
"number_observations_unique": 1976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "R(meas)",
"value": 0.781
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
}
]
}