Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "847a3cfe0defd8053ad6fe51f42e6f56",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.60,
"b": 77.67,
"c": 99.40,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.700,1.690],
"number_observations": 218016,
"number_observations_unique": 34308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.690],
"number_observations": 13846,
"number_observations_unique": 2494,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.477
},
{
"type": "R(meas)",
"value": 1.633
},
{
"type": "R(pim)",
"value": 0.687
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.518
}
]
},
{
"resolution_limits": [49.700,7.560],
"number_observations": 2608,
"number_observations_unique": 466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 45.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}