Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c19f7a949799bd42fe28cb0fb67839db",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 79.54,
"b": 38.73,
"c": 49.80,
"alpha": 90.00,
"beta": 125.83,
"gamma": 90.00
},
"wavelengths": [0.97851],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.19,1.94],
"number_observations_unique": 8884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.99,1.94],
"number_observations_unique": 494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.724
},
{
"type": "R(pim)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 74.0
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
}
]
}