Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "528d7776ad7fadac525ae454d915c4bd",
"space_group_name": "P 1",
"unit_cell": {
"a": 52.824,
"b": 62.451,
"c": 124.018,
"alpha": 89.99,
"beta": 98.37,
"gamma": 89.89
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.450,2.650],
"number_observations_unique": 37526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 82.900
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.660],
"number_observations": 11023,
"number_observations_unique": 5959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [62.450,8.400],
"number_observations": 2543,
"number_observations_unique": 1302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}