Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df3e2543137abf901e8de7eae508e02d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.626,
"b": 66.599,
"c": 65.548,
"alpha": 90.00,
"beta": 98.99,
"gamma": 90.00
},
"wavelengths": [1.36994],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.965,2.6],
"number_observations_unique": 12795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1658
},
{
"type": "I/SigI",
"value": 12.32
},
{
"type": "Completeness",
"value": 97
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
"refln_shells": [
{
"resolution_limits": [2.693,2.6],
"number_observations_unique": 1221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3537
},
{
"type": "I/SigI",
"value": 3.92
},
{
"type": "Completeness",
"value": 93
},
{
"type": "Redundancy",
"value": 5
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
}
]
}