Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b0cdd017fd8a14e5cef989ea682ac429",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.36,
"b": 83.36,
"c": 135.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.870,2.860],
"number_observations": 249158,
"number_observations_unique": 13029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.930,2.860],
"number_observations": 19203,
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.378
},
{
"type": "R(meas)",
"value": 1.413
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.300
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [34.870,12.790],
"number_observations": 1972,
"number_observations_unique": 170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}