Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed6a3b06806d7ddd33b420024d094dc7",
"space_group_name": "I 4",
"unit_cell": {
"a": 133.75,
"b": 133.75,
"c": 149.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.730,2.440],
"number_observations_unique": 89450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.520,2.440],
"number_observations": 17530,
"number_observations_unique": 4474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "R(meas)",
"value": 0.536
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.649
}
]
},
{
"resolution_limits": [99.730,9.770],
"number_observations": 2834,
"number_observations_unique": 783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}