Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5f5a127af6a3a9efda7e7dc9de7d15a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.237,
"b": 41.498,
"c": 72.142,
"alpha": 90.00,
"beta": 104.53,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.5,1.119],
"number_observations_unique": 91347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 16.58
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 3.66
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.19,1.12],
"number_observations_unique": 14347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 6.42
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 3.70
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}