Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "437cb53d000dd5946f7ff63141672c3d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.246,
"b": 63.095,
"c": 74.547,
"alpha": 90.000,
"beta": 125.253,
"gamma": 90.000
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.11,1.95],
"number_observations_unique": 32516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.0,1.95],
"number_observations_unique": 2243,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.155
},
{
"type": "R(pim)",
"value": 0.727
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
}
]
}