Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9782f55c08b3659fc47def9e885b5ad9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 90.970,
"b": 95.762,
"c": 110.085,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.25,2.850],
"number_observations_unique": 22992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations": 24283,
"number_observations_unique": 3317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.891
},
{
"type": "R(meas)",
"value": 0.958
},
{
"type": "R(pim)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [19.770,9.010],
"number_observations": 4319,
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}