Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd7e09c73a4cdd025f190db76582ab40",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 125.674,
"b": 108.578,
"c": 75.828,
"alpha": 90.00,
"beta": 109.17,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.118,1.662],
"number_observations": 280903,
"number_observations_unique": 82181,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.807,1.662],
"number_observations": 12000,
"number_observations_unique": 4109,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.803
},
{
"type": "R(pim)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 71.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.628
}
]
},
{
"resolution_limits": [80.118,5.041],
"number_observations": 14001,
"number_observations_unique": 4109,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}