Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0a149aa92f42bfcb04bccd24e0aae39",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.326,
"b": 51.672,
"c": 79.158,
"alpha": 90.00,
"beta": 92.55,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.28,1.72],
"number_observations": 116855,
"number_observations_unique": 34700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 90.6
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.81,1.72],
"number_observations": 18867,
"number_observations_unique": 5507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "R(pim)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
}
]
}