Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b66831e1868d923ef50b67af3be4d693",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.061,
"b": 81.813,
"c": 89.088,
"alpha": 90.27,
"beta": 105.95,
"gamma": 93.60
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.090,1.960],
"number_observations_unique": 88717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.960],
"number_observations_unique": 8568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.597
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [47.090,7.590],
"number_observations_unique": 1633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}