Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b15a47d7501b6ec531de0a166652743",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.799,
"b": 60.839,
"c": 133.999,
"alpha": 90.00,
"beta": 105.86,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.81,1.25],
"number_observations": 1145495,
"number_observations_unique": 184491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.27,1.25],
"number_observations": 22357,
"number_observations_unique": 6305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(meas)",
"value": 0.480
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
}
]
}