Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b107ad089cc32a7bd864d88d45965dd2",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 123.80,
"b": 123.80,
"c": 41.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.610,1.570],
"number_observations": 388598,
"number_observations_unique": 50185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 20976,
"number_observations_unique": 3598,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.865
},
{
"type": "R(meas)",
"value": 3.147
},
{
"type": "R(pim)",
"value": 1.280
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
}
]
}