Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d1c45323c113781b2f2a8104ded23f9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 120.380,
"b": 77.260,
"c": 94.229,
"alpha": 90.00,
"beta": 119.95,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.64,2.35],
"number_observations": 118049,
"number_observations_unique": 31324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.43,2.35],
"number_observations": 10963,
"number_observations_unique": 3015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
}
]
}