Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3fe68fb2241865b8d96f3cf0694ca509",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.325,
"b": 41.454,
"c": 72.291,
"alpha": 90.00,
"beta": 104.53,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.454,1.07],
"number_observations_unique": 104839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 10.92
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.67
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.13,1.07],
"number_observations_unique": 16391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 2.07
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 3.55
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
}
]
}