Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "222f0737098732a9719f12d673dc8ba6",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.34,
"b": 71.34,
"c": 150.44,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.370,1.580],
"number_observations": 699420,
"number_observations_unique": 54246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 30293,
"number_observations_unique": 2593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.970
},
{
"type": "R(meas)",
"value": 1.014
},
{
"type": "R(pim)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [29.370,8.650],
"number_observations": 4569,
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 51.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}