Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "baf59d365092d746a0acebaf8d2fa486",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 45.10,
"b": 70.52,
"c": 88.85,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.62,1.72],
"number_observations": 151900,
"number_observations_unique": 15324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 29.0
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.72],
"number_observations": 5605,
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "R(pim)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
}
]
}