Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d84a27ec64429d04ed023c615a02bec",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 161.869,
"b": 54.458,
"c": 165.822,
"alpha": 90.000,
"beta": 108.393,
"gamma": 90.000
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25,2.30],
"number_observations_unique": 50880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 95.0
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.39,2.30],
"number_observations_unique": 2545,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.236
},
{
"type": "R(meas)",
"value": 2.417
},
{
"type": "R(pim)",
"value": 0.912
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 39.4
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
}
]
}