Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f41faf2a167055ed81916f8f3b74db54",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 85.392,
"b": 47.200,
"c": 71.092,
"alpha": 90.00,
"beta": 113.68,
"gamma": 90.00
},
"wavelengths": [0.99998],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.722,2.015],
"number_observations_unique": 17306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.09,2.015],
"number_observations_unique": 1683,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.34
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "CC(1/2)",
"value": 0.51
}
]
}
]
}