Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "dfb8e8d05d23ab9fc67a95dad4599089",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 78.788,
"b": 78.788,
"c": 233.573,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.36,1.64],
"number_observations_unique": 34662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 25.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [44.36,8.98],
"number_observations_unique": 245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 93.2
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.67,1.64],
"number_observations_unique": 1676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.976
},
{
"type": "R(meas)",
"value": 1.089
},
{
"type": "R(pim)",
"value": 0.475
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
}
]
}