Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "506e43ee4bad0df51b0e3d8c8f73b953",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.205,
"b": 80.073,
"c": 47.802,
"alpha": 90.000,
"beta": 98.123,
"gamma": 90.000
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.57,1.70],
"number_observations_unique": 35429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 1905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.754
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
}
]
}