Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8dafb4ff1f659b060126b46afb48868b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.98,
"b": 58.77,
"c": 41.98,
"alpha": 90.00,
"beta": 97.48,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.970,1.650],
"number_observations_unique": 22276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.650],
"number_observations_unique": 2922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 82.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.674
}
]
},
{
"resolution_limits": [33.970,5.220],
"number_observations_unique": 745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}