Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6bec2d6632573c757e8e85894b8823b3",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 87.625,
"b": 87.625,
"c": 83.982,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.620,1.400],
"number_observations": 1855141,
"number_observations_unique": 36564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 87578,
"number_observations_unique": 3142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4554
},
{
"type": "R(pim)",
"value": 0.874
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.900
},
{
"type": "CC(1/2)",
"value": 0.277
}
]
},
{
"resolution_limits": [87.620,7.670],
"number_observations": 11268,
"number_observations_unique": 492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}