Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf718b2e9922e0c6149462ab779aab78",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.64,
"b": 32.71,
"c": 72.68,
"alpha": 90.00,
"beta": 90.57,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.16,1.60],
"number_observations_unique": 31680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 18.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.66,1.60],
"number_observations_unique": 3142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "R(meas)",
"value": 0.534
},
{
"type": "R(pim)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
}
]
}