Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc0ea149a9c072df5c181e932770c8a8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.72,
"b": 120.17,
"c": 68.17,
"alpha": 90.00,
"beta": 108.05,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.98,2.20],
"number_observations_unique": 43570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.32,2.20],
"number_observations_unique": 6345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(meas)",
"value": 0.447
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
}
]
}