Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ca86f4d53b7931e7a057d6697593c11",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.583,
"b": 60.851,
"c": 32.330,
"alpha": 90.00,
"beta": 92.93,
"gamma": 90.00
},
"wavelengths": [0.94055],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.59,1.31],
"number_observations": 230945,
"number_observations_unique": 32636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.33,1.31],
"number_observations": 11124,
"number_observations_unique": 1586,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.548
},
{
"type": "R(meas)",
"value": 2.752
},
{
"type": "R(pim)",
"value": 1.030
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.244
}
]
}
]
}