Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "88d59ebe02a5d8b04a821018b7802af9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 91.979,
"b": 94.598,
"c": 71.822,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.95,1.98],
"number_observations_unique": 17475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.123,1.990],
"number_observations": 6949,
"number_observations_unique": 875,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.381
},
{
"type": "R(meas)",
"value": 1.478
},
{
"type": "R(pim)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 59.600
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.565
}
]
},
{
"resolution_limits": [65.945,5.987],
"number_observations": 5389,
"number_observations_unique": 873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 57.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}