Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ca3b8605e16edbe643c7d32b7d862c8",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 168.065,
"b": 168.065,
"c": 52.008,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97626],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.01,2.00],
"number_observations_unique": 56996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,2.00],
"number_observations_unique": 4159,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.809
},
{
"type": "R(meas)",
"value": 2.879
},
{
"type": "R(pim)",
"value": 0.629
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.7
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
}
]
}