Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "098f2eb5a37e644f78e36c6198cea2cb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 77.323,
"b": 73.958,
"c": 91.415,
"alpha": 90.00,
"beta": 108.73,
"gamma": 90.00
},
"wavelengths": [0.90500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.96,1.12],
"number_observations_unique": 362792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.14,1.12],
"number_observations_unique": 9234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.974
},
{
"type": "R(meas)",
"value": 1.260
},
{
"type": "R(pim)",
"value": 0.786
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 50.3
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.378
}
]
}
]
}