Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa52936968999f8e5ec61173abbd1e44",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 156.681,
"b": 221.393,
"c": 190.539,
"alpha": 90.00,
"beta": 97.67,
"gamma": 90.00
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.75,3.58],
"number_observations": 528303,
"number_observations_unique": 75622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "R(meas)",
"value": 0.627
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
"refln_shells": [
{
"resolution_limits": [3.65,3.58],
"number_observations": 30534,
"number_observations_unique": 4498,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.668
},
{
"type": "R(meas)",
"value": 3.974
},
{
"type": "R(pim)",
"value": 1.519
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.218
}
]
}
]
}