Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba2ed43198f452278cd458bb47cf31d7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 173.253,
"b": 77.095,
"c": 84.609,
"alpha": 90.00,
"beta": 107.42,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.65,2.70],
"number_observations_unique": 29438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.83,2.70],
"number_observations": 45107,
"number_observations_unique": 3879,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.533
},
{
"type": "R(meas)",
"value": 1.606
},
{
"type": "R(pim)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Redundancy",
"value": 11.6
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
}
]
}