Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d3255dfa35db8fab7f88f7c5493dc0a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 119.06,
"b": 79.96,
"c": 85.41,
"alpha": 90.00,
"beta": 116.28,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.58,2.60],
"number_observations": 91861,
"number_observations_unique": 20945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 94.3
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
"refln_shells": [
{
"resolution_limits": [2.72,2.60],
"number_observations": 9752,
"number_observations_unique": 2200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.566
},
{
"type": "R(meas)",
"value": 0.643
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
}
]
}