Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3ff411af56898352e018a3613c695dca",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.321,
"b": 99.001,
"c": 58.833,
"alpha": 90.00,
"beta": 108.04,
"gamma": 90.00
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.65,1.88],
"number_observations_unique": 76307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.02568
},
{
"type": "I/SigI",
"value": 17.53
},
{
"type": "Completeness",
"value": 97.57
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.947,1.88],
"number_observations_unique": 4653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1097
},
{
"type": "I/SigI",
"value": 5.96
},
{
"type": "Completeness",
"value": 96.53
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
}
]
}