Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d35f1a61e7dce06edb2aad7a724cc6d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.623,
"b": 179.957,
"c": 87.721,
"alpha": 90.00,
"beta": 106.86,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.86,1.67],
"number_observations": 851107,
"number_observations_unique": 187638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.70,1.67],
"number_observations": 40878,
"number_observations_unique": 9185,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.066
},
{
"type": "R(meas)",
"value": 1.206
},
{
"type": "R(pim)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
}
]
}