Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a3b736258c6385ac014d8aa5a44dbaf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 173.757,
"b": 86.297,
"c": 98.986,
"alpha": 90.0,
"beta": 104.2,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.98,2.90],
"number_observations": 111242,
"number_observations_unique": 31541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.06,2.90],
"number_observations": 16846,
"number_observations_unique": 4598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
}
]
}