Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2b7df80f484693e1b5d3dc57ed6898bb",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 122.730,
"b": 106.210,
"c": 161.922,
"alpha": 90.0,
"beta": 101.1,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.3,2.91],
"number_observations_unique": 43821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.1,2.91],
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "R(pim)",
"value": 0.384
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
}
]
}